data_2jpq_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 2jpq _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 ' 7' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.733 0.301 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.484 HG23 ' HB3' ' A' ' 10' ' ' GLU . 23.4 m -64.3 125.94 26.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.588 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -65.16 -32.65 74.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.707 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.484 ' HB3' HG23 ' A' ' 8' ' ' THR . 10.7 tp10 -52.53 -52.82 52.89 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.166 0.507 . . . . 0.0 109.733 171.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.553 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.2 tt0 -59.72 -55.03 39.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.922 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.1 t -57.3 -49.81 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.53 -176.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.08 -42.84 95.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.091 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 31.4 mmtp -67.97 -33.77 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.109 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 11' ' ' GLN . 61.3 mt -69.33 -44.36 80.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 95.7 mt -56.62 -42.17 78.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.6 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.64 85.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.14 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.16 -38.19 72.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.429 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.445 HG13 HG13 ' B' ' 19' ' ' VAL . 79.8 t -64.21 -48.28 86.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.883 0.373 . . . . 0.0 110.543 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.96 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.689 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.541 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 10.1 tt -61.36 -40.52 94.6 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.119 177.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.61 -37.26 79.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.188 0.518 . . . . 0.0 110.695 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 HG23 ' A' ' 33' ' ' THR . 80.4 mt -70.14 -43.39 71.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.453 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.24 -37.37 85.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.39 0.614 . . . . 0.0 109.992 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 2.9 tmtt? -56.78 -38.62 72.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.383 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -103.23 11.9 36.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.487 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.63 42.69 29.23 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.485 0.491 . . . . 0.0 111.543 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.528 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -61.91 123.69 18.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.197 0.522 . . . . 0.0 111.612 -177.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.511 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 10.4 m -76.48 163.75 64.05 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.823 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 3.3 Cg_endo -46.45 -55.31 3.86 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.372 2.715 . . . . 0.0 114.304 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.77 -41.88 99.44 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.998 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.595 ' O ' HG12 ' A' ' 36' ' ' ILE . 47.4 tp -59.25 -47.66 84.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.482 HG23 HD12 ' A' ' 23' ' ' LEU . 85.8 m -52.61 -51.87 58.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.429 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.58 -32.05 62.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.744 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.9 ttp -71.05 -30.77 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.515 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 32' ' ' LEU . 26.8 mm -60.72 -46.8 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.27 85.04 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.018 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.425 ' CA ' ' HE1' ' B' ' 61' ' ' PHE . . . -61.48 -46.39 94.44 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.381 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -61.05 -38.5 86.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.655 0.264 . . . . 0.0 110.836 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 36' ' ' ILE . 81.9 mt -59.13 -55.18 25.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.398 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.82 88.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.7 m -58.76 -49.63 76.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -59.96 -42.12 93.4 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.991 0.424 . . . . 0.0 110.751 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 40' ' ' ILE . 65.9 t -61.5 -45.35 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.063 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.447 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 91.6 mt -68.69 -12.84 61.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.665 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.52 -56.2 2.68 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.87 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -107.29 -23.14 12.35 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.662 ' HB3' ' HB3' ' B' ' 30' ' ' PRO . 45.8 mtt180 -99.87 -39.73 8.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -170.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.447 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 4.6 p -86.72 164.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.03 154.26 23.36 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.6 74.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.648 0.261 . . . . 0.0 111.345 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -65.8 -32.87 74.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.275 0.56 . . . . 0.0 110.774 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 11.0 tp60 -85.35 -6.24 59.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.47 -176.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -67.5 -60.2 2.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.173 -167.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 48.7 tptt -62.54 -38.29 89.46 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.176 -0.209 . . . . 0.0 110.887 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.2 -50.94 66.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.498 ' HB ' ' O ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -64.23 -31.3 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -178.183 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.489 ' HB2' ' HE3' ' B' ' 66' ' ' MET . . . -68.84 -46.06 69.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.793 176.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 23.9 mm-40 -63.15 -42.94 99.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.953 0.406 . . . . 0.0 110.07 176.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -54.4 -45.72 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.142 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.475 ' HB2' HD23 ' B' ' 34' ' ' LEU . 58.3 t80 -63.35 -48.39 78.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.099 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -62.55 -44.54 96.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.423 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -66.44 -38.5 87.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.128 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.48 -31.34 72.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.14 0.495 . . . . 0.0 110.31 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.0 tp -74.96 -37.38 61.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.649 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.605 ' HE1' ' HA ' ' A' ' 66' ' ' MET . 29.6 mmt -65.42 -36.29 83.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 110.63 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -79.92 -25.32 40.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.19 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -83.47 -13.76 53.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.198 0.523 . . . . 0.0 110.202 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.59 HD23 ' HG2' ' B' ' 54' ' ' ARG . 6.4 tt . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.5 ' HB ' ' CB ' ' B' ' 11' ' ' GLN . 11.2 m . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -60.73 -48.09 83.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.754 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 42.2 tt0 -63.41 -33.06 74.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.421 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.5 ' CB ' ' HB ' ' B' ' 8' ' ' THR . 7.6 tt0 -62.8 -45.83 90.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.196 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.29 -45.59 85.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.286 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.489 ' CD ' ' HZ3' ' B' ' 14' ' ' LYS . 1.8 tt0 -57.87 -45.21 86.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.827 177.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.489 ' HZ3' ' CD ' ' B' ' 13' ' ' GLU . 47.4 mmtm -66.13 -39.69 90.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 -177.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.474 ' O ' HG21 ' B' ' 19' ' ' VAL . 79.1 mt -62.86 -46.55 96.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.786 0.327 . . . . 0.0 110.148 176.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.63 -41.52 81.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.35 95.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.286 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.437 ' O ' HG22 ' B' ' 22' ' ' VAL . 41.2 mt-10 -68.5 -36.79 79.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.182 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.474 HG21 ' O ' ' B' ' 15' ' ' ILE . 82.1 t -63.76 -45.9 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.283 176.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -63.15 -32.12 73.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.754 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.29 -40.63 96.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.089 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 18' ' ' GLU . 95.0 t -65.66 -36.22 77.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.009 0.433 . . . . 0.0 110.433 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 81.2 mt -62.24 -48.03 81.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.113 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.55 -39.67 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.241 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.78 -22.06 45.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.776 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -124.07 13.25 9.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.53 45.77 27.97 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.507 0.504 . . . . 0.0 111.777 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.05 127.24 31.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.885 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.496 ' HB2' ' HD2' ' B' ' 30' ' ' PRO . 81.2 p -69.6 164.38 50.77 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.304 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.662 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 9.8 Cg_endo -53.8 -47.81 25.18 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.556 2.171 . . . . 0.0 111.907 176.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.97 -50.25 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.419 ' O ' HG13 ' B' ' 36' ' ' ILE . 56.8 tp -59.04 -45.93 89.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.176 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 57.4 m -56.36 -52.8 63.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.493 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 61' ' ' PHE . 6.6 tt -67.76 -35.04 77.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.523 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 31.9 ttp -68.63 -32.82 72.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.914 0.388 . . . . 0.0 110.602 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.454 ' O ' HG13 ' B' ' 40' ' ' ILE . 33.5 mt -62.51 -43.77 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.244 174.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.96 79.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.126 0.488 . . . . 0.0 110.227 175.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.408 ' CA ' ' HE1' ' A' ' 61' ' ' PHE . . . -61.19 -46.51 94.34 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.035 175.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -58.06 -39.75 79.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.606 0.241 . . . . 0.0 110.865 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.586 ' O ' HG23 ' B' ' 44' ' ' VAL . 64.5 mt -58.34 -58.22 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.81 -36.95 75.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -59.61 -48.27 82.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -63.36 -35.81 81.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.626 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.665 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 47.2 t -60.25 -52.56 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.026 0.441 . . . . 0.0 110.044 175.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.503 HD21 ' HG3' ' B' ' 54' ' ' ARG . 82.7 mt -69.54 -13.1 62.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.797 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -99.73 -37.98 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -145.57 31.05 1.08 Allowed 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 118.68 0.673 . . . . 0.0 110.597 -166.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.665 ' HB3' ' HA ' ' B' ' 44' ' ' VAL . 19.9 ttm180 -155.61 -46.47 0.08 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.873 -0.731 . . . . 0.0 112.498 -169.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.474 HG21 HG21 ' B' ' 57' ' ' ILE . 2.6 p -86.02 164.44 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.761 0.315 . . . . 0.0 111.01 -177.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.77 139.5 38.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.521 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.57 74.99 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 122.533 0.333 . . . . 0.0 111.533 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.8 m -69.11 -31.89 70.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.139 0.495 . . . . 0.0 110.968 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.424 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.7 tp-100 -83.66 -16.28 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.019 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.59 ' HG2' HD23 ' A' ' 69' ' ' LEU . 10.9 ttp180 -57.53 -51.96 67.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.018 -167.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -75.05 -32.39 61.52 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.442 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -69.68 -50.95 38.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.474 HG21 HG21 ' B' ' 49' ' ' VAL . 14.7 tt -66.47 -29.43 46.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . 0.48 ' HB3' ' HE2' ' A' ' 66' ' ' MET . . . -71.01 -41.27 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.823 0.344 . . . . 0.0 110.452 176.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.57 -42.45 91.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.866 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.6 -42.81 88.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.834 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.425 ' HE1' ' CA ' ' A' ' 38' ' ' GLY . 77.7 t80 -60.95 -54.92 39.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.992 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -58.47 -43.58 88.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.273 -178.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -42.7 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.75 91.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.511 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 22.6 tp -65.99 -36.6 83.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.855 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.489 ' HE3' ' HB2' ' A' ' 58' ' ' ALA . 30.7 mmt -68.16 -36.91 80.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.889 0.376 . . . . 0.0 110.611 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.9 p -82.81 -7.53 59.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.066 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.6 m -103.39 -2.05 27.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.362 0.601 . . . . 0.0 110.083 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.084 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 121.254 0.55 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.512 ' HB ' ' HG3' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -57.06 127.27 31.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.052 178.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.76 -46.59 77.84 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.83 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.452 ' OE1' HG22 ' A' ' 8' ' ' THR . 1.5 pm0 -58.47 -34.07 70.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.408 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.512 ' HG3' ' HB ' ' A' ' 8' ' ' THR . 24.1 mt-30 -66.58 -51.51 55.6 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.69 -53.35 50.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.152 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.37 -50.46 65.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.996 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 47.8 mttm -79.39 -24.08 42.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.611 -169.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 11' ' ' GLN . 79.7 mt -72.05 -42.16 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 172.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.547 HD22 HG22 ' B' ' 36' ' ' ILE . 80.0 mt -56.41 -43.85 79.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.121 173.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.51 -44.34 84.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.341 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 47.2 mt-10 -69.18 -43.23 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.075 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 94.2 t -59.35 -48.23 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.458 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.11 73.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.25 -40.94 90.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.19 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 18' ' ' GLU . 98.4 t -60.54 -42.02 89.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.135 0.493 . . . . 0.0 109.986 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 70.4 mt -60.74 -54.1 49.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.29 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.44 -29.34 70.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.84 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.13 -41.08 86.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.089 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -98.58 13.2 32.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.28 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.41 37.16 13.81 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.074 0.464 . . . . 0.0 111.308 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.51 116.72 8.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.112 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.504 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 15.4 m -68.77 161.63 69.89 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.72 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.823 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 6.1 Cg_endo -49.5 -39.26 45.29 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.306 2.67 . . . . 0.0 112.706 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.24 -50.92 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.263 177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.572 ' O ' HG12 ' A' ' 36' ' ' ILE . 25.0 tp -63.44 -29.31 70.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.7 m -59.25 -56.76 18.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.154 0.502 . . . . 0.0 110.795 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tt -71.53 -27.79 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.463 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 25.9 ttt -60.55 -44.47 96.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.058 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.572 HG12 ' O ' ' A' ' 32' ' ' LEU . 30.1 mm -59.52 -45.13 94.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.328 175.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.79 78.16 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.557 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.62 -38.59 96.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.175 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -66.46 -34.66 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.662 0.268 . . . . 0.0 110.418 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 36' ' ' ILE . 47.1 mm -61.99 -53.85 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.194 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.11 -43.31 82.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.034 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.9 m -63.04 -44.58 95.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -59.53 -41.05 89.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.193 0.521 . . . . 0.0 110.07 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.751 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 98.9 t -61.82 -46.79 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.007 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' HD3' ' A' ' 54' ' ' ARG . 95.9 mt -61.15 -26.32 67.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.074 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -73.41 -61.47 1.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.17 -42.61 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -171.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.751 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 13.7 mtt85 -79.87 33.0 0.26 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.5 HG23 ' H ' ' A' ' 50' ' ' ALA . 4.9 p -153.84 168.64 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' H ' HG23 ' A' ' 49' ' ' VAL . . . -96.3 150.3 20.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.513 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.06 -59.4 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -70.97 -17.21 62.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.704 ' HG3' HG12 ' A' ' 57' ' ' ILE . 13.6 tp60 -85.42 -21.46 28.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.57 -176.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.498 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 16.7 mtm-85 -53.99 -43.01 69.65 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 30.0 mmtp -64.37 -42.16 96.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.603 0.239 . . . . 0.0 111.396 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -72.19 -45.69 59.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.787 0.327 . . . . 0.0 110.156 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.704 HG12 ' HG3' ' A' ' 53' ' ' GLN . 17.1 mm -56.14 -50.71 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.748 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.13 83.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.664 0.269 . . . . 0.0 111.514 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -67.36 -46.77 72.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.353 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.17 -36.4 84.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.818 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -61.29 -49.94 75.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.395 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -62.99 -43.98 97.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -66.4 -42.82 87.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.747 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.04 -33.74 76.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.574 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.32 -39.78 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.92 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 25.1 mmt -69.96 -33.45 72.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.491 176.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.3 t -71.06 -33.02 69.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.411 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -94.95 6.41 49.14 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.306 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.602 HD13 HD13 ' B' ' 45' ' ' LEU . 64.3 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.366 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.49 ' OG1' ' HB2' ' B' ' 11' ' ' GLN . 82.5 p . . . . . 0 C--O 1.236 0.353 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -62.27 -34.68 77.02 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.664 0.268 . . . . 0.0 110.684 -177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.668 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 0.5 OUTLIER -72.42 -36.95 68.72 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.609 179.335 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.49 ' HB2' ' OG1' ' B' ' 8' ' ' THR . 51.3 tt0 -56.84 -49.9 74.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.187 0.517 . . . . 0.0 110.855 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.37 -41.66 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.122 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.62 -41.35 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.992 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.668 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 32.3 mmtp -63.5 -50.65 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.84 -44.49 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.855 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.54 -43.43 79.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.191 176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.43 98.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.4 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.0 mt-10 -64.05 -48.18 77.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.782 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.465 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 93.9 t -60.14 -45.42 95.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.557 178.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.77 86.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.854 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.53 -41.56 97.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.514 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.4 t -62.81 -44.94 99.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.968 0.413 . . . . 0.0 110.119 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 76.0 mt -62.79 -50.19 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.71 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -39.59 94.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.591 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.26 -41.57 99.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.767 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -83.61 -2.32 55.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.398 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.01 46.79 10.47 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.66 0.6 . . . . 0.0 110.695 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 118.96 9.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.26 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.8 p -69.61 161.39 74.55 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.236 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.06 -44.25 43.45 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.962 2.441 . . . . 0.0 112.329 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.47 -54.84 41.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.418 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.41 ' O ' HG13 ' B' ' 36' ' ' ILE . 53.1 tp -59.09 -44.39 91.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.649 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 92.5 m -55.5 -51.99 65.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.66 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.13 -32.72 61.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.71 -175.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttp -64.03 -34.6 78.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.998 0.428 . . . . 0.0 109.923 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.547 HG22 HD22 ' A' ' 16' ' ' LEU . 54.6 mt -62.32 -46.8 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.331 174.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.37 86.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.13 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.43 96.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.251 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -67.17 -40.54 86.62 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 36' ' ' ILE . 87.8 mt -57.86 -52.62 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.487 176.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.04 -48.08 82.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.147 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 14.8 p -66.19 -34.98 79.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.297 . . . . 0.0 111.405 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -66.71 -37.79 85.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.315 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' B' ' 47' ' ' GLN . 98.8 t -70.38 -36.93 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 110.192 174.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.602 HD13 HD13 ' A' ' 69' ' ' LEU . 95.1 mt -69.4 -11.12 60.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.23 0.538 . . . . 0.0 110.652 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.83 -48.46 5.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.101 171.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.58 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 47.8 mt-30 -132.31 137.64 47.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.776 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.823 ' HB3' ' HB3' ' A' ' 30' ' ' PRO . 50.9 mtt180 91.62 14.1 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.931 1.292 . . . . 0.0 111.839 175.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.502 HG11 ' HE ' ' B' ' 54' ' ' ARG . 1.3 p -139.38 147.15 24.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.417 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.6 140.11 51.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.48 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.99 86.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.184 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -68.48 -33.12 73.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.233 0.54 . . . . 0.0 110.298 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.61 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.3 tp-100 -87.69 -3.51 58.96 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.37 -177.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.579 ' HG3' HD12 ' A' ' 69' ' ' LEU . 16.7 tpp85 -53.73 -65.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -170.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 10.2 tmtt? -75.86 -26.79 57.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.183 0.516 . . . . 0.0 109.924 -175.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 2.9 tt -70.95 -47.28 59.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.828 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.61 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.0 tt -69.21 -33.13 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.435 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.82 95.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.186 0.517 . . . . 0.0 109.987 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -61.84 -47.13 86.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.079 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 29.1 mtpp -60.77 -42.14 96.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.786 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -59.34 -44.87 92.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.055 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.01 90.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.94 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -62.11 -39.96 94.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.989 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.74 91.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.878 0.371 . . . . 0.0 110.722 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.97 -33.96 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.412 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -23.98 62.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 176.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 32.3 t -80.05 -32.37 39.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.769 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 27.4 p -82.61 -25.92 32.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.344 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--O 1.234 0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.55 174.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.426 ' HB3' ' H ' ' A' ' 8' ' ' THR . 64.0 m-85 . . . . . 0 N--CA 1.466 0.341 0 CA-C-O 121.13 0.491 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.426 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 5.7 m -85.41 125.98 33.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.15 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.38 -55.74 22.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.914 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.0 pm0 -59.41 -36.68 76.31 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.865 -176.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' HG13 ' A' ' 15' ' ' ILE . 16.1 mm100 -57.94 -50.59 72.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.84 -52.18 60.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.602 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.41 -41.88 97.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.074 -175.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 68.2 mmtt -70.47 -40.57 73.59 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.127 -176.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 19' ' ' VAL . 77.1 mt -60.21 -44.96 96.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.158 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.79 -47.22 83.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.952 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.78 89.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.583 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 22' ' ' VAL . 7.6 mm-40 -66.41 -53.92 30.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.561 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.8 t -56.48 -49.76 75.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.344 -177.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.4 84.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.538 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.18 -40.45 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.697 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 18' ' ' GLU . 95.5 t -62.28 -42.98 97.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.076 0.465 . . . . 0.0 110.362 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 74.0 mt -62.72 -51.61 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.473 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -65.08 -33.32 75.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.543 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -65.06 -38.56 91.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.868 0.366 . . . . 0.0 110.796 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -84.02 5.8 24.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.409 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.3 38.43 19.74 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.242 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 138.32 55.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.815 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -84.84 161.09 54.23 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.53 -34.61 43.07 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.767 2.311 . . . . 0.0 112.731 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -61.53 -44.41 97.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.386 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.497 ' O ' HG12 ' A' ' 36' ' ' ILE . 44.5 tp -71.12 -38.67 72.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.413 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.5 m -56.39 -50.5 71.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.316 0.579 . . . . 0.0 110.775 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tt -74.21 -26.86 60.5 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.07 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.1 ttm -63.94 -39.91 95.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.05 0.452 . . . . 0.0 110.149 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 40' ' ' ILE . 36.1 mm -61.93 -46.11 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.841 176.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.91 81.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.785 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.61 -46.98 93.16 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.267 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -57.83 -41.73 82.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.557 0.218 . . . . 0.0 110.646 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 44' ' ' VAL . 75.8 mt -56.53 -60.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.432 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.59 91.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.43 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 85.9 m -60.6 -46.62 89.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -72.2 -30.81 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.706 0.289 . . . . 0.0 110.779 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.554 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 70.8 t -62.68 -51.36 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.483 HD11 HD11 ' B' ' 69' ' ' LEU . 82.0 mt -68.74 -11.73 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.189 0.519 . . . . 0.0 110.838 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 42' ' ' THR . 1.9 t-20 -90.39 -48.25 7.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.487 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -130.63 -49.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.624 -174.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.554 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 20.0 mtp180 -86.89 40.15 0.89 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -167.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.457 HG22 HG21 ' A' ' 57' ' ' ILE . 4.7 p -151.0 151.35 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.8 146.11 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.271 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.2 -42.73 81.81 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.157 0.286 . . . . 0.0 111.266 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 m -62.73 -39.64 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.287 0.565 . . . . 0.0 110.588 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -82.97 -10.19 58.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.088 -173.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HG2' HD13 ' B' ' 69' ' ' LEU . 18.9 ttm180 -60.09 -58.14 9.81 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.786 -172.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -34.93 74.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.118 0.485 . . . . 0.0 110.35 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.5 -48.78 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.675 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.457 HG21 HG22 ' A' ' 49' ' ' VAL . 12.4 tt -72.06 -27.8 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.672 -175.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.55 80.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 110.097 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -65.19 -43.74 90.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.769 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -56.39 -52.05 66.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.633 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.506 ' HB2' HD22 ' B' ' 34' ' ' LEU . 65.9 t80 -52.65 -53.92 40.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.928 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.92 73.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.508 -175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.464 HE21 ' HB3' ' A' ' 63' ' ' GLN . 12.9 mt-30 -63.03 -40.56 98.1 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.947 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.47 98.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.632 0.253 . . . . 0.0 110.329 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.8 tp -60.22 -42.12 94.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.807 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -14.35 60.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.237 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.1 m -87.71 -36.36 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.773 0.321 . . . . 0.0 110.553 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.3 p -86.96 0.83 54.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.229 0.538 . . . . 0.0 110.747 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.637 HD11 ' HG2' ' B' ' 54' ' ' ARG . 18.3 tp . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.247 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m . . . . . 0 C--O 1.235 0.296 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -56.59 -39.87 74.27 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.943 -176.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -53.33 -47.42 69.34 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.22 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -57.01 -52.06 66.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.669 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -58.59 -55.06 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.298 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.74 -43.97 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.626 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -77.16 -27.0 53.63 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.606 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 70.5 mt -69.97 -41.39 79.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 171.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.28 -37.69 75.5 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.322 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.93 96.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.05 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.419 ' O ' HG22 ' B' ' 22' ' ' VAL . 42.9 mt-10 -63.99 -41.18 97.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.446 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.481 HG13 HG23 ' A' ' 19' ' ' VAL . 96.4 t -64.48 -42.42 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.751 177.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.51 -37.55 78.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.131 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -67.87 -34.97 77.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.642 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.419 HG22 ' O ' ' B' ' 18' ' ' GLU . 64.2 t -62.83 -40.39 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.083 0.468 . . . . 0.0 109.791 174.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 71.0 mt -66.21 -40.98 90.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.362 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.68 -41.9 82.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.244 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -72.93 3.11 5.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.976 0.417 . . . . 0.0 111.185 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -131.32 5.2 4.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.18 172.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 45.18 51.91 8.87 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 123.99 0.806 . . . . 0.0 112.122 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.522 ' HA ' HD22 ' B' ' 32' ' ' LEU . . . -57.61 117.56 4.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.216 -178.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -70.27 162.06 72.11 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.229 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.36 -51.02 11.91 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.042 2.495 . . . . 0.0 113.958 -175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -64.04 -37.87 88.99 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' B' ' 28' ' ' ALA . 52.5 tp -64.47 -45.43 87.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.197 176.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -54.62 -52.73 61.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.377 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 61' ' ' PHE . 7.3 tt -73.71 -32.27 63.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -175.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.3 ttm -62.18 -42.02 98.88 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.621 ' O ' HG12 ' B' ' 40' ' ' ILE . 36.8 mt -60.45 -44.36 96.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.593 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.87 88.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.945 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.44 -37.87 94.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.109 -0.567 . . . . 0.0 111.884 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -65.26 -41.42 94.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.621 HG12 ' O ' ' B' ' 36' ' ' ILE . 49.6 mm -53.69 -57.58 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.15 175.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.53 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.09 -49.8 74.75 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 91.4 m -53.72 -55.57 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.849 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -68.56 -38.24 80.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.361 . . . . 0.0 110.774 -173.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.12 -42.64 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.976 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 80.9 mt -65.25 -42.49 93.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.85 0.357 . . . . 0.0 111.424 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -80.15 -19.01 48.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -174.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -115.0 -60.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -86.39 -34.49 20.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -164.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.438 HG12 ' O ' ' B' ' 45' ' ' LEU . 1.2 p -87.54 163.84 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.687 -176.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.06 134.95 44.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.89 67.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.613 0.244 . . . . 0.0 111.299 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.4 m -62.99 -35.35 79.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.193 0.52 . . . . 0.0 110.572 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.51 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 6.0 tp-100 -83.93 -22.94 31.34 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.179 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.637 ' HG2' HD11 ' A' ' 69' ' ' LEU . 39.3 ttm180 -48.31 -56.34 8.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.972 -167.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.452 ' HD2' ' HA ' ' B' ' 55' ' ' LYS . 12.5 tptm -74.55 -35.35 63.09 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.092 -176.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.54 -49.38 66.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.51 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 15.8 tt -65.24 -30.42 50.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.038 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.13 -44.61 75.71 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.962 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.33 -46.56 88.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' B' ' 57' ' ' ILE . 27.7 mtpp -54.69 -47.3 73.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.369 0.604 . . . . 0.0 110.253 175.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.422 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 56.9 t80 -62.74 -51.5 66.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.306 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.5 -44.45 93.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -51.77 68.01 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.57 77.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.76 -43.68 88.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.7 mmt -69.6 -29.9 67.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.878 0.37 . . . . 0.0 110.595 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.0 t -73.74 -26.54 60.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.984 0.421 . . . . 0.0 110.065 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 39.5 m -90.61 -7.9 51.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.585 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.483 HD11 HD11 ' A' ' 45' ' ' LEU . 61.0 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.762 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 C--O 1.231 0.11 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 11' ' ' GLN . 15.3 t -91.09 137.15 32.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 170.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.21 -43.68 78.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -169.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.89 -12.92 61.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.485 ' O ' HD12 ' A' ' 15' ' ' ILE . 53.6 tt0 -71.0 -60.13 2.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.76 -44.05 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.578 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.11 -43.91 82.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.451 -177.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.57 -34.9 58.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.552 -174.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 11' ' ' GLN . 1.8 mp -63.98 -47.15 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.655 173.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.1 mt -59.53 -41.63 90.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.197 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.65 73.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.387 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.543 ' O ' HG21 ' A' ' 22' ' ' VAL . 37.1 mt-10 -67.06 -39.15 86.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.824 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.435 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 72.8 t -65.03 -45.52 94.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.804 0.335 . . . . 0.0 110.998 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.88 85.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 0.0 110.779 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.72 -38.26 90.45 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.044 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.543 HG21 ' O ' ' A' ' 18' ' ' GLU . 98.0 t -59.73 -42.83 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.225 0.536 . . . . 0.0 110.189 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD12 HG21 ' A' ' 33' ' ' THR . 53.6 mt -61.38 -45.96 92.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.484 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.3 -37.25 74.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.887 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.71 -35.75 80.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.33 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -95.83 2.45 53.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.907 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.63 48.04 23.39 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.577 0.548 . . . . 0.0 110.858 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.87 123.85 22.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.991 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -62.64 157.53 57.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.295 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.5 -45.88 37.84 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.659 2.24 . . . . 0.0 112.668 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.91 -45.15 93.85 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.068 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 HD11 HG21 ' B' ' 12' ' ' VAL . 44.2 tp -60.23 -45.34 93.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.692 0.282 . . . . 0.0 110.348 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.443 HG21 HD12 ' A' ' 23' ' ' LEU . 93.9 m -56.78 -54.69 43.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.753 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.504 ' HB2' HG12 ' B' ' 44' ' ' VAL . 6.4 tt -69.95 -33.27 71.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.771 -175.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttp -64.72 -37.12 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.064 0.459 . . . . 0.0 110.36 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.589 ' O ' HG12 ' A' ' 40' ' ' ILE . 36.4 mt -59.97 -45.83 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.589 175.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.28 78.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.031 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.99 -36.45 90.97 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.097 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -68.24 -33.13 73.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 36' ' ' ILE . 51.1 mm -59.56 -52.38 61.59 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.531 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.86 -42.95 80.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.782 176.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.7 m -62.13 -42.99 99.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -60.47 -41.98 95.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.216 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 1.024 ' HA ' ' HB3' ' A' ' 48' ' ' ARG . 97.2 t -59.27 -52.85 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.931 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 38.6 mt -63.53 -14.69 53.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.546 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -90.38 -57.63 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -132.41 7.53 4.21 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.724 -168.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 1.024 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 11.9 ttt85 -133.77 23.15 3.94 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.708 -165.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.505 HG21 HG22 ' A' ' 57' ' ' ILE . 8.7 p -160.02 158.55 2.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.292 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -75.83 141.55 42.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.498 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -36.15 78.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -66.29 -15.18 63.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.139 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' OE1' ' HA ' ' A' ' 53' ' ' GLN . 1.9 tp60 -111.08 -4.88 14.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.698 -169.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 99.4 mtt180 -68.27 -35.75 78.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -169.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -74.47 -46.84 37.01 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.331 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.8 -49.08 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.314 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.505 HG22 HG21 ' A' ' 49' ' ' VAL . 13.8 tt -70.38 -29.4 38.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.213 -173.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.73 70.85 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.956 0.408 . . . . 0.0 110.642 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 70.3 mt-10 -68.64 -40.44 80.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.792 178.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 57' ' ' ILE . 28.4 ttpp -56.53 -39.57 73.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.303 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.513 ' HB2' HD21 ' B' ' 34' ' ' LEU . 88.5 t80 -60.26 -54.77 41.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.754 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.74 80.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.423 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 59' ' ' GLU . 16.8 mm100 -58.16 -41.62 84.19 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.046 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.28 82.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.864 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.6 tp -64.91 -42.82 94.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.86 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -71.36 -24.65 62.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 179.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.3 m -73.96 -26.67 60.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.005 0.431 . . . . 0.0 110.39 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -101.14 10.15 41.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.23 0.538 . . . . 0.0 111.281 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.693 HD13 HD11 ' B' ' 45' ' ' LEU . 53.1 tp . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.59 0.233 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -52.68 -41.16 63.61 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.715 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -56.38 -39.82 73.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.441 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -66.85 -52.18 46.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.634 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.42 HG21 HD11 ' A' ' 32' ' ' LEU . 58.4 t -60.35 -45.97 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.491 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.84 -42.52 93.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -45.61 91.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.845 -176.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.43 ' O ' HG21 ' B' ' 19' ' ' VAL . 54.5 mt -64.72 -43.94 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.166 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.585 HD23 HG22 ' A' ' 36' ' ' ILE . 91.2 mt -56.69 -46.74 80.99 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 177.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -56.84 -46.36 81.77 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.97 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.491 ' O ' HG21 ' B' ' 22' ' ' VAL . 41.1 mt-10 -68.79 -41.53 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.121 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.43 HG21 ' O ' ' B' ' 15' ' ' ILE . 70.7 t -60.23 -45.44 96.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.901 0.381 . . . . 0.0 110.518 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -36.38 83.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.713 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 48.9 mt -67.66 -29.72 69.07 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.509 178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.491 HG21 ' O ' ' B' ' 18' ' ' GLU . 93.7 t -66.02 -35.44 75.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.48 0.657 . . . . 0.0 109.584 175.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.439 HD12 HG23 ' B' ' 33' ' ' THR . 79.3 mt -71.52 -46.24 60.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.229 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -27.24 68.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 86.4 tttt -63.57 -41.54 98.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.319 178.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -102.77 10.79 38.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.453 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.33 47.8 13.41 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.345 0.593 . . . . 0.0 111.011 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.59 135.59 45.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.463 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' B' ' 30' ' ' PRO . 68.2 p -69.61 163.57 58.19 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.519 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.431 ' O ' ' HB ' ' B' ' 33' ' ' THR . 10.9 Cg_endo -56.08 -42.72 63.62 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.467 2.112 . . . . 0.0 111.605 174.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.84 -48.6 78.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.07 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.62 ' O ' HG12 ' B' ' 36' ' ' ILE . 55.0 tp -59.2 -43.43 92.25 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.439 HG23 HD12 ' B' ' 23' ' ' LEU . 54.4 m -51.71 -55.7 18.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.255 176.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 61' ' ' PHE . 8.2 tt -68.92 -33.96 74.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.804 -176.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.3 ttp -68.2 -34.01 75.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.417 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.62 HG12 ' O ' ' B' ' 32' ' ' LEU . 24.9 mm -61.92 -44.55 99.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 174.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.8 -41.71 78.24 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.414 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.0 -46.84 93.77 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.924 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.85 -36.03 80.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 111.065 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.511 ' O ' HG23 ' B' ' 44' ' ' VAL . 81.5 mt -60.27 -55.45 24.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.29 -39.52 79.52 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.562 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.4 m -55.53 -54.35 45.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -58.73 -42.49 88.86 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.028 0.442 . . . . 0.0 110.318 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.622 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 42.1 t -61.58 -41.49 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.98 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 69' ' ' LEU . 97.4 mt -76.85 -4.09 41.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.518 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -99.47 -61.97 1.3 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.924 0.392 . . . . 0.0 110.716 175.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -104.14 -39.66 6.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.243 -171.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.622 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 46.8 mtt180 -90.08 17.48 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -170.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.48 HG21 HG21 ' B' ' 57' ' ' ILE . 4.4 p -139.96 158.65 26.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.523 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 147.25 28.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.564 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.31 -41.25 84.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.572 0.225 . . . . 0.0 111.225 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 26.5 t -66.73 -23.34 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.792 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.404 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.9 tp-100 -95.13 -19.32 20.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 -176.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.1 ttm-85 -53.3 -56.18 18.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.35 -169.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.462 ' HE2' ' HB2' ' B' ' 59' ' ' GLU . 11.3 tptm -67.33 -44.22 79.66 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.904 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.98 -51.39 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.391 -175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.48 HG21 HG21 ' B' ' 49' ' ' VAL . 16.0 tt -67.82 -31.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.022 -176.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.61 67.94 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.891 0.377 . . . . 0.0 110.703 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.462 ' HB2' ' HE2' ' B' ' 55' ' ' LYS . 35.4 tt0 -63.7 -50.33 69.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.834 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -58.61 -39.42 80.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.133 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -59.4 -47.82 83.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.008 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.48 -48.75 80.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.443 . . . . 0.0 110.579 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.77 -39.11 87.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.442 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.57 78.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.262 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 38.6 tp -61.28 -43.3 99.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.028 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -21.47 61.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.519 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -81.41 -34.39 31.59 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.9 t -72.03 -31.84 66.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.875 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.488 HD13 HD13 ' A' ' 45' ' ' LEU . 6.1 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.999 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.404 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 58.7 m-85 . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.816 0.341 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -79.98 132.26 35.99 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.782 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -60.33 -37.84 81.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.068 0.461 . . . . 0.0 110.561 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.8 -47.0 87.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.768 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 15' ' ' ILE . 34.0 mt-30 -63.63 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.884 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.57 -50.39 80.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.8 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -69.08 -27.08 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.16 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.32 -43.92 59.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.517 0.199 . . . . 0.0 110.854 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 11' ' ' GLN . 76.1 mt -65.07 -44.62 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.31 -41.64 80.27 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.983 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.11 70.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG21 ' A' ' 22' ' ' VAL . 44.7 mt-10 -63.94 -42.32 97.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.27 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.48 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 74.3 t -63.26 -49.76 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 110.982 178.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.58 -31.68 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.943 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.08 -44.27 89.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.41 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 18' ' ' GLU . 88.2 t -60.94 -41.02 87.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.025 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD13 HG23 ' A' ' 33' ' ' THR . 73.3 mt -63.21 -49.34 74.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.556 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.72 -44.03 97.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.662 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.41 -33.73 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.119 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -88.02 5.69 39.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.152 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.91 37.77 21.41 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.607 0.567 . . . . 0.0 111.317 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HA ' HD21 ' A' ' 32' ' ' LEU . . . -64.99 117.72 8.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.235 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.524 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 16.0 m -76.69 162.91 68.8 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.418 176.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 4.6 Cg_endo -46.16 -50.13 10.44 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.373 2.715 . . . . 0.0 113.259 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.93 -50.85 67.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.553 ' O ' HG12 ' A' ' 36' ' ' ILE . 46.0 tp -64.09 -39.8 94.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.707 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.5 HG23 HD13 ' A' ' 23' ' ' LEU . 35.0 m -59.78 -46.54 88.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.83 -178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.412 HD23 HG12 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -70.44 -34.42 72.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.486 178.449 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -58.05 -43.38 86.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.931 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 32' ' ' LEU . 43.8 mm -58.28 -51.37 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.218 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.58 87.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.317 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.64 -44.04 95.87 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.692 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -63.53 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.889 -0.183 . . . . 0.0 110.892 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 36' ' ' ILE . 92.9 mt -56.67 -58.93 3.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.077 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.06 86.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.152 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -58.07 -51.6 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.109 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -60.77 -40.81 93.92 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.041 0.448 . . . . 0.0 110.602 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 40' ' ' ILE . 86.6 t -62.14 -47.31 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.608 HD23 ' HB3' ' A' ' 58' ' ' ALA . 7.2 mp -71.05 -13.26 61.92 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.804 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.69 -47.12 10.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.805 0.336 . . . . 0.0 111.084 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -115.6 -44.67 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -172.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -90.35 -8.21 51.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -164.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 1.4 p -110.74 162.29 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.484 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.96 139.43 42.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.581 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.59 -47.19 40.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.344 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 p -78.8 -20.92 48.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.63 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.685 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.46 -22.64 47.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.499 179.679 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.556 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 13.5 mtm180 -50.63 -54.31 23.84 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -173.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -63.69 -41.83 98.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.939 0.399 . . . . 0.0 110.434 -175.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.34 -50.68 29.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.684 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.515 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 9.4 tt -66.54 -33.29 62.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.529 0.204 . . . . 0.0 111.109 -174.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.608 ' HB3' HD23 ' A' ' 45' ' ' LEU . . . -68.11 -47.62 67.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.205 0.526 . . . . 0.0 110.561 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.62 -40.35 88.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.057 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -56.75 -48.1 78.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.304 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.788 ' HE2' ' HE1' ' B' ' 61' ' ' PHE . 90.4 t80 -61.83 -46.88 87.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.167 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.6 99.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.112 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.73 -34.87 77.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.63 -32.41 73.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 110.79 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.4 tp -73.84 -31.51 63.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.418 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.7 mmt -81.67 -20.88 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.372 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 p -88.08 -24.07 23.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.905 0.384 . . . . 0.0 110.629 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.2 p -92.71 5.35 51.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.269 0.556 . . . . 0.0 109.915 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.679 HD12 ' HG2' ' B' ' 54' ' ' ARG . 52.3 tp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.551 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.3 -41.42 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.513 -176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 46.6 mt-10 -67.02 -40.34 87.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.492 ' O ' HG13 ' B' ' 15' ' ' ILE . 6.1 tp-100 -57.07 -46.44 82.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.017 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.405 HG23 ' CD1' ' A' ' 32' ' ' LEU . 59.1 t -57.7 -47.41 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.426 178.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.06 -38.44 91.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.332 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 74.8 mmtt -66.14 -46.24 78.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.689 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 11' ' ' GLN . 67.6 mt -60.06 -43.06 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.437 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.402 HD21 HG21 ' A' ' 36' ' ' ILE . 93.1 mt -56.44 -43.28 79.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.0 90.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.419 ' O ' HG21 ' B' ' 22' ' ' VAL . 45.5 mt-10 -66.54 -42.45 87.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.087 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.416 HG11 HD11 ' A' ' 40' ' ' ILE . 72.4 t -62.77 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.757 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.17 -32.93 74.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 tp -66.61 -37.66 85.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.951 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.419 HG21 ' O ' ' B' ' 18' ' ' GLU . 66.7 t -59.77 -42.3 88.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.33 0.586 . . . . 0.0 109.69 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.5 HD11 HG23 ' B' ' 33' ' ' THR . 48.7 mt -65.95 -41.87 90.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.161 177.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.68 -53.78 45.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.23 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -61.23 -27.22 68.28 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -95.06 2.56 55.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.294 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 53.26 47.43 24.34 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.492 0.495 . . . . 0.0 111.716 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.73 139.39 56.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.562 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -86.89 161.37 47.45 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.001 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.29 -51.32 9.69 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.306 2.671 . . . . 0.0 113.824 -177.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.404 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 29.7 mm-40 -57.86 -50.71 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.928 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.537 ' O ' HG12 ' B' ' 36' ' ' ILE . 42.9 tp -59.32 -34.52 72.43 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.758 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.5 HG23 HD11 ' B' ' 23' ' ' LEU . 56.0 m -61.36 -50.8 71.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.994 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.44 -26.14 61.72 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.983 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm -59.8 -42.58 93.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.537 HG12 ' O ' ' B' ' 32' ' ' LEU . 47.6 mm -61.22 -50.72 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.362 176.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 -49.37 77.33 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.405 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.21 -50.75 54.64 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.233 -0.508 . . . . 0.0 113.072 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.54 -35.21 73.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.856 0.328 . . . . 0.0 111.247 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 36' ' ' ILE . 65.0 mt -59.14 -53.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 175.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.598 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -60.34 -48.1 83.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.978 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.2 m -58.33 -42.04 85.92 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.556 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.06 -40.7 96.86 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.605 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.557 ' HA ' ' O ' ' B' ' 47' ' ' GLN . 62.7 t -71.28 -34.17 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.821 0.343 . . . . 0.0 110.709 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.8 mt -61.85 -29.57 70.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.226 175.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.465 ' N ' HD21 ' B' ' 46' ' ' ASN . 0.9 OUTLIER -86.86 -46.19 10.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.292 0.567 . . . . 0.0 110.277 176.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 45.3 mt-30 -124.51 126.79 46.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.508 -175.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' B' ' 47' ' ' GLN . 58.0 mtm180 94.72 14.19 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.864 1.265 . . . . 0.0 112.088 175.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.502 HG23 HG21 ' B' ' 57' ' ' ILE . 1.4 p -140.48 153.69 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.317 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.37 147.25 38.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.18 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.12 75.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.726 0.298 . . . . 0.0 111.172 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.2 p -69.12 -42.84 75.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.0 110.707 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.808 ' HA ' HE21 ' B' ' 53' ' ' GLN . 0.0 OUTLIER -66.98 -26.86 67.02 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.601 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.679 ' HG2' HD12 ' A' ' 69' ' ' LEU . 33.0 ttm180 -49.06 -53.79 18.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.717 -172.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmpt? -69.45 -41.36 76.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.912 0.387 . . . . 0.0 110.401 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.58 -45.87 74.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.687 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.502 HG21 HG23 ' B' ' 49' ' ' VAL . 15.4 tt -70.17 -31.91 49.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.711 -176.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.55 73.41 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.07 0.462 . . . . 0.0 110.232 175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -72.44 -39.86 67.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.113 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -54.61 -47.62 73.18 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.159 172.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.788 ' HE1' ' HE2' ' A' ' 61' ' ' PHE . 52.7 t80 -54.78 -54.35 43.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.62 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.542 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -62.15 -46.26 89.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.416 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.59 -46.45 85.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.6 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.83 89.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.37 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.31 -42.21 98.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.867 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 17.7 mmt -76.71 -20.15 56.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.335 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 58.4 m -82.87 -23.83 33.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.595 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.7 p -94.32 -3.82 49.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.241 0.543 . . . . 0.0 110.188 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.44 HD12 HD21 ' A' ' 45' ' ' LEU . 51.1 tp . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.886 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 92.7 m-85 . . . . . 0 N--CA 1.466 0.357 0 CA-C-O 120.604 0.24 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.495 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 23.6 p -75.12 131.59 40.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -58.68 -46.77 86.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -171.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.495 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -57.64 -48.01 80.64 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 123.224 0.328 . . . . 0.0 110.472 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.509 ' O ' HG13 ' A' ' 15' ' ' ILE . 8.4 tt0 -53.58 -55.08 28.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.04 -45.84 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.989 0.423 . . . . 0.0 111.104 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -69.13 -35.29 76.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.02 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 5.9 mptp? -71.03 -40.03 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 11' ' ' GLN . 82.1 mt -62.4 -41.32 91.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.71 -40.13 86.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.655 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.36 87.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 48.2 mt-10 -64.81 -45.09 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.197 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' O ' HD13 ' A' ' 23' ' ' LEU . 98.8 t -61.72 -45.07 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.25 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.036 0.446 . . . . 0.0 111.021 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -64.83 -34.96 79.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.104 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 18' ' ' GLU . 85.3 t -68.87 -39.37 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.297 0.57 . . . . 0.0 109.969 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 19' ' ' VAL . 3.9 mp -60.7 -49.0 79.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.134 176.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.07 -39.78 93.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.576 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -54.15 -42.14 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.837 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.41 ' HE2' ' CD ' ' B' ' 18' ' ' GLU . 71.5 m-70 -105.32 7.5 33.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.533 -177.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.67 47.37 10.64 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.135 0.493 . . . . 0.0 111.134 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.57 121.34 15.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.284 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.508 ' OG ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 t -77.04 152.59 82.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.817 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HD2' ' OG ' ' A' ' 29' ' ' SER . 1.6 Cg_endo -45.82 -40.71 19.79 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.93 3.087 . . . . 0.0 114.128 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.22 -45.64 92.51 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.301 0.572 . . . . 0.0 109.702 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HA ' ' HE2' ' A' ' 35' ' ' MET . 65.0 tp -64.8 -37.42 87.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.112 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 m -56.29 -52.81 63.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.254 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.4 -23.82 57.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.964 0.411 . . . . 0.0 110.248 -177.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.523 ' HE2' ' HA ' ' A' ' 32' ' ' LEU . 23.8 ttm -62.72 -48.06 80.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.261 0.553 . . . . 0.0 109.741 173.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.5 mt -60.25 -40.87 85.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.096 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.55 79.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.951 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.43 -37.56 79.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.123 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -62.04 -42.87 99.64 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.481 ' O ' HG21 ' A' ' 44' ' ' VAL . 85.4 mt -58.42 -56.06 18.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.398 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.653 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -54.04 -52.83 59.61 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.424 -177.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.2 m -59.88 -45.72 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.418 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -64.1 -36.67 84.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.808 0.337 . . . . 0.0 110.807 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 40' ' ' ILE . 83.2 t -64.6 -42.0 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 175.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 76.6 mt -62.59 -33.6 75.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.539 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -72.24 -56.11 6.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.247 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -100.95 -39.59 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -165.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 48' ' ' ARG . 48.6 mtt180 -108.04 19.48 19.94 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -164.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.487 HG23 HG23 ' A' ' 57' ' ' ILE . 3.1 p -144.27 158.96 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.245 176.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.17 144.48 48.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.94 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.94 -44.65 70.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.688 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.4 m -73.43 -20.0 60.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.368 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.884 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -85.76 -19.41 30.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.366 -178.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.79 ' HB3' HD12 ' B' ' 69' ' ' LEU . 88.0 mtt180 -51.94 -47.03 64.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.995 -175.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.719 ' HA ' HD21 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -60.82 -54.84 40.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.4 -52.79 63.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.814 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.487 HG23 HG23 ' A' ' 49' ' ' VAL . 11.6 tt -69.76 -24.65 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.383 -171.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.74 -42.95 57.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 110.646 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 55' ' ' LYS . 42.1 mt-10 -71.17 -33.02 69.62 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -53.43 -42.05 66.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.165 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.471 ' HB2' HD23 ' B' ' 34' ' ' LEU . 80.7 t80 -64.18 -53.21 52.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.784 176.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 66' ' ' MET . . . -62.8 -42.97 99.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.049 -174.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.54 -37.73 85.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.69 0.281 . . . . 0.0 110.792 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.39 82.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.014 0.435 . . . . 0.0 110.111 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.4 tp -63.98 -41.11 97.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.795 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -65.81 -28.92 69.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.672 -178.59 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 m -85.71 -25.38 26.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.844 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -89.08 5.59 43.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.386 0.612 . . . . 0.0 110.449 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.382 178.808 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 121.164 0.507 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.99 -20.51 66.53 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.637 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.36 -42.53 99.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.008 0.432 . . . . 0.0 110.31 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.423 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.5 tt0 -67.51 -48.06 68.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.033 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 46.2 t -63.63 -52.81 52.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.396 -177.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.63 -40.71 92.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.36 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -67.36 -46.35 73.62 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.17 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.423 HG13 ' O ' ' B' ' 11' ' ' GLN . 74.2 mt -60.79 -41.49 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.537 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 90.6 mt -56.94 -44.31 82.37 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 177.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.91 95.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.011 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.3 mt-10 -61.27 -52.15 65.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.755 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 92.3 t -59.18 -49.4 83.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.52 79.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.254 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -67.52 -41.46 84.37 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 18' ' ' GLU . 91.9 t -60.99 -42.76 94.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.352 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 66.6 mt -61.73 -46.68 88.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.625 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.22 -30.5 66.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.519 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.58 -35.07 78.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.612 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -96.47 7.99 45.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.74 46.3 9.16 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.613 0.571 . . . . 0.0 111.223 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.526 ' HA ' HD22 ' B' ' 32' ' ' LEU . . . -69.64 120.02 14.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.214 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.486 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 23.9 m -68.75 160.63 76.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.946 175.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 6.4 Cg_endo -49.19 -50.0 13.97 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.303 2.669 . . . . 0.0 113.226 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.44 -46.46 88.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.246 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 56.1 tp -60.24 -45.14 94.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.345 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 96.9 m -57.23 -52.9 63.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.138 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' A' ' 61' ' ' PHE . 5.9 tt -70.38 -31.17 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.656 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.2 ttp -66.23 -36.74 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 0.0 110.317 175.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.417 ' O ' HG13 ' B' ' 40' ' ' ILE . 33.5 mt -62.89 -43.38 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.551 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.03 83.31 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 110.127 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.11 -44.52 95.64 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.045 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -56.61 -45.61 81.37 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 110.491 177.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.432 ' O ' HG23 ' B' ' 44' ' ' VAL . 87.7 mt -54.9 -57.81 5.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.523 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.83 -43.49 85.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.299 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 76.6 m -58.52 -54.33 48.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.361 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -64.15 -34.07 77.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.607 0.241 . . . . 0.0 111.214 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 40' ' ' ILE . 75.5 t -68.93 -46.46 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.661 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.6 mt -64.8 -37.25 86.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.773 0.321 . . . . 0.0 111.575 -178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -84.06 -23.65 30.74 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -124.02 -50.1 1.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -84.42 -42.76 15.33 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -170.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.496 HG23 HG23 ' B' ' 57' ' ' ILE . 4.2 p -77.45 155.23 5.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.919 0.39 . . . . 0.0 111.51 -172.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.05 129.81 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.789 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.69 -47.88 50.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.258 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.5 m -72.3 -12.12 61.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.87 0.367 . . . . 0.0 111.751 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -106.95 -4.57 18.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.356 0.598 . . . . 0.0 109.673 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -62.36 -53.4 55.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.913 -169.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -67.09 -41.16 86.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.381 0.61 . . . . 0.0 110.361 -175.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 90.5 mt -69.82 -50.78 39.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.686 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.496 HG23 HG23 ' B' ' 49' ' ' VAL . 11.1 tt -67.09 -30.12 48.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.023 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.53 86.17 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.203 0.525 . . . . 0.0 110.172 176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.39 -44.05 72.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.232 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 66.7 mttm -58.05 -42.11 84.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.833 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.44 -47.59 81.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.024 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.9 96.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.766 0.317 . . . . 0.0 110.434 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.52 -47.85 83.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.409 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.72 89.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.769 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 19.7 tp -64.33 -47.17 80.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.257 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.464 ' HE3' ' N ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -65.64 -30.41 71.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 110.975 177.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -76.15 -17.94 59.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.8 m -99.38 5.89 46.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.458 0.647 . . . . 0.0 110.236 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.79 HD12 ' HB3' ' A' ' 54' ' ' ARG . 35.3 tp . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.077 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 121.458 0.647 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.7 m -76.72 119.6 20.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.937 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -39.33 60.37 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.831 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -54.86 -51.68 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.58 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.566 ' O ' HG13 ' A' ' 15' ' ' ILE . 9.4 tt0 -55.26 -54.16 47.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.446 HG21 HD13 ' B' ' 32' ' ' LEU . 85.7 t -55.89 -52.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.078 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.6 -47.09 85.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.936 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 2.6 mptp? -70.12 -31.9 69.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.629 -175.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 11' ' ' GLN . 67.7 mt -68.66 -37.7 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.066 0.46 . . . . 0.0 109.907 175.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.436 HD23 HG22 ' B' ' 36' ' ' ILE . 82.0 mt -60.7 -40.83 93.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.576 176.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.469 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -59.98 -38.89 83.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.826 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 5.8 mm-40 -59.85 -52.58 64.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.294 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 48.1 t -62.07 -39.91 85.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.792 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.66 -36.85 74.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 84.9 mt -70.17 -33.36 71.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.698 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.9 -40.32 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 74.4 mt -67.99 -32.31 72.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.464 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.96 -54.06 21.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.025 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -64.84 -23.08 67.12 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.53 ' CG ' HG12 ' B' ' 15' ' ' ILE . 89.6 m-70 -100.16 -5.32 27.94 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.356 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.5 46.94 23.87 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.468 0.48 . . . . 0.0 110.945 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.85 129.29 39.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.046 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -67.25 161.15 66.62 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.473 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.37 -55.96 2.92 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.969 2.446 . . . . 0.0 113.625 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.485 ' HG2' HD13 ' B' ' 57' ' ' ILE . 33.0 mt-10 -61.27 -40.57 94.58 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.669 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 36' ' ' ILE . 63.7 tp -57.29 -48.88 77.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.009 0.433 . . . . 0.0 110.097 175.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.402 HG23 HD13 ' A' ' 23' ' ' LEU . 85.6 m -53.57 -50.88 64.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.362 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.34 -34.89 70.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.852 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.9 ttp -64.94 -34.73 79.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.527 HG23 HD23 ' B' ' 16' ' ' LEU . 63.6 mt -60.92 -45.14 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.212 174.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.31 87.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 110.475 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.32 -39.93 96.21 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.459 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -63.93 -38.31 90.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.2 mt -56.59 -56.55 13.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.364 173.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.542 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.75 -42.25 88.43 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.995 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -58.71 -46.72 86.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -60.24 -39.38 86.49 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.597 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 40' ' ' ILE . 58.3 t -62.8 -43.82 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.0 109.87 175.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 65.5 mt -66.49 -21.25 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.132 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -82.79 -54.35 5.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.691 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -122.15 -7.8 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -168.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 75.7 mtp180 -126.86 27.74 5.95 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.582 -169.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.443 HG21 ' H ' ' A' ' 50' ' ' ALA . 4.8 p -153.63 167.29 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 177.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' H ' HG21 ' A' ' 49' ' ' VAL . . . -89.73 156.66 18.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.827 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.57 -53.31 59.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.733 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -65.03 -27.91 69.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 5.2 tp60 -82.48 -15.49 52.28 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.405 -174.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 54' ' ' ARG . 15.4 mtm180 -58.11 -56.94 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HA ' HD22 ' B' ' 69' ' ' LEU . 18.1 tptm -65.74 -38.84 90.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.784 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.28 -49.18 67.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.625 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.6 tt -73.51 -31.21 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.725 0.297 . . . . 0.0 110.973 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.45 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 110.254 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.93 -39.22 76.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.814 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -59.78 -43.94 94.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.009 0.433 . . . . 0.0 109.914 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.497 ' HE2' ' CE2' ' B' ' 61' ' ' PHE . 66.1 t80 -57.11 -53.9 52.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.631 177.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.56 -43.0 93.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.32 -46.75 88.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.633 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.82 92.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.15 -38.61 85.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.506 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 32.3 mmt -67.35 -28.4 67.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.093 0.473 . . . . 0.0 110.1 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.8 t -70.71 -47.33 60.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.694 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.9 m -83.87 -3.96 58.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.452 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 HD22 ' HG2' ' B' ' 55' ' ' LYS . 16.2 tp . . . . . 0 C--O 1.235 0.292 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.247 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.446 -0.651 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -53.45 -36.79 61.97 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.383 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -54.21 -51.7 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.201 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.619 ' O ' HG13 ' B' ' 15' ' ' ILE . 29.5 tt0 -63.37 -44.31 95.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.204 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.12 -51.09 58.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -52.0 -53.76 37.86 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 123.434 0.459 . . . . 0.0 111.575 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' B' ' 14' ' ' LYS . 7.3 mptt -68.41 -32.58 72.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.004 -170.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.619 HG13 ' O ' ' B' ' 11' ' ' GLN . 55.5 mt -66.11 -53.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.527 HD23 HG23 ' A' ' 36' ' ' ILE . 91.8 mt -56.77 -41.61 77.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.027 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.26 85.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.109 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.408 ' O ' HG21 ' B' ' 22' ' ' VAL . 41.9 mt-10 -76.67 -35.13 58.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.104 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.523 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 86.3 t -62.2 -45.33 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 110.327 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.81 -32.78 74.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.558 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.87 -42.04 90.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.753 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.408 HG21 ' O ' ' B' ' 18' ' ' GLU . 72.9 t -61.2 -43.55 96.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 71.9 mt -61.5 -38.1 86.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.268 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -68.86 -46.18 69.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.705 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -56.33 -45.45 80.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.656 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -91.28 7.91 38.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.663 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.14 47.8 22.41 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.141 0.496 . . . . 0.0 111.624 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.514 ' HA ' HD21 ' B' ' 32' ' ' LEU . . . -73.53 118.16 16.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.392 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -66.85 163.3 44.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.571 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.64 -52.9 7.82 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.933 2.422 . . . . 0.0 113.65 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -68.81 -34.34 75.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.615 0.245 . . . . 0.0 110.747 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' B' ' 28' ' ' ALA . 63.1 tp -64.04 -42.9 96.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.235 0.541 . . . . 0.0 109.742 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 53.3 m -57.67 -47.02 83.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.849 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.18 -33.93 70.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.704 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.1 ttm -62.1 -45.58 92.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.119 0.485 . . . . 0.0 109.937 175.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.591 ' O ' HG12 ' B' ' 40' ' ' ILE . 32.4 mt -58.03 -40.86 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.37 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.55 78.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.01 0.433 . . . . 0.0 110.407 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.02 -39.92 94.99 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.708 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -59.83 -41.6 91.72 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.591 HG12 ' O ' ' B' ' 36' ' ' ILE . 46.2 mm -59.38 -56.74 15.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.433 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.11 -39.25 74.72 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.116 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -61.24 -47.63 85.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.713 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -63.06 -36.51 83.82 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.918 0.39 . . . . 0.0 110.784 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.444 HG22 ' O ' ' B' ' 40' ' ' ILE . 67.4 t -61.01 -47.07 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.85 174.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 92.4 mt -65.67 -29.7 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.329 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -70.02 -51.04 35.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.511 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -122.0 -45.55 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -169.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 48' ' ' ARG . 52.6 mtt180 -93.49 43.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -167.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.501 HG12 ' HE ' ' B' ' 54' ' ' ARG . 9.8 p -159.18 150.0 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.932 0.396 . . . . 0.0 111.047 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.7 153.1 33.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.33 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.701 0.286 . . . . 0.0 111.691 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 m -65.76 -26.61 67.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.047 0.451 . . . . 0.0 111.286 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -88.23 -17.76 30.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.335 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.501 ' HE ' HG12 ' B' ' 49' ' ' VAL . 21.4 ttm180 -59.34 -59.88 4.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.387 -168.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.463 ' HG2' HD22 ' A' ' 69' ' ' LEU . 46.6 mtpt -70.41 -31.06 68.1 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.476 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.85 -44.55 63.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.672 0.272 . . . . 0.0 111.151 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.629 ' HA ' ' HD3' ' B' ' 60' ' ' LYS . 13.1 tt -68.76 -29.2 42.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.022 -177.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.69 -42.52 81.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.728 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.29 -37.12 69.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.521 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.629 ' HD3' ' HA ' ' B' ' 57' ' ' ILE . 51.2 mtpt -52.52 -49.51 64.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.354 0.597 . . . . 0.0 110.007 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.497 ' CE2' ' HE2' ' A' ' 61' ' ' PHE . 9.7 t80 -61.42 -52.44 64.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.681 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' B' ' 66' ' ' MET . . . -57.46 -40.77 79.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.563 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -62.75 -46.67 86.99 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.12 82.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.86 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.668 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.418 ' HE1' HD21 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -72.56 -19.42 61.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.216 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.5 m -93.66 -30.95 14.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.177 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 36.7 p -89.63 13.22 14.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.369 0.604 . . . . 0.0 110.291 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 55' ' ' LYS . 35.6 tp . . . . . 0 CA--C 1.536 0.415 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.47 -176.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 C--O 1.235 0.326 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.7 p -88.02 143.84 26.86 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.49 -29.73 70.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.62 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.41 -49.08 67.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.381 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 15' ' ' ILE . 52.4 tt0 -58.93 -57.16 14.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.928 -175.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.45 -45.82 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.105 -177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.6 -40.43 91.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.413 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 66.7 mmtt -75.48 -36.59 60.6 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 11' ' ' GLN . 50.9 mt -67.23 -46.15 84.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.395 175.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.14 -36.03 76.62 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.5 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 21' ' ' LEU . . . -56.49 -54.15 49.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.784 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' HG21 ' A' ' 22' ' ' VAL . 34.6 mt-10 -67.87 -44.3 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.314 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 75.2 t -59.36 -51.04 77.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.672 0.272 . . . . 0.0 111.094 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.72 -32.21 72.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.815 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 2.5 tt -64.44 -42.16 96.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 18' ' ' GLU . 82.2 t -58.72 -44.51 90.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.984 0.421 . . . . 0.0 110.175 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 HG22 ' A' ' 33' ' ' THR . 58.9 mt -62.83 -43.27 99.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.392 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.96 -46.83 70.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.749 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -65.64 -34.46 78.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.641 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -91.3 7.27 41.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.804 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.89 46.76 19.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.83 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -70.99 124.07 23.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.519 ' HB2' ' OE1' ' A' ' 31' ' ' GLU . 5.5 m -67.68 162.03 61.01 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.202 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.54 -49.81 16.18 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.883 2.388 . . . . 0.0 113.506 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.519 ' OE1' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -71.38 -36.17 71.32 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.537 -177.429 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 28' ' ' ALA . 57.6 tp -59.2 -47.18 86.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.159 0.504 . . . . 0.0 109.954 171.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.493 HG22 HD13 ' A' ' 23' ' ' LEU . 54.4 m -56.35 -49.17 75.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.128 177.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD11 ' HB ' ' B' ' 44' ' ' VAL . 0.5 OUTLIER -69.53 -33.51 72.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.857 -175.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.437 ' HE2' HD11 ' A' ' 32' ' ' LEU . 16.0 tmm? -64.0 -40.63 96.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' O ' HG13 ' A' ' 40' ' ' ILE . 43.6 mt -60.9 -41.89 90.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.659 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.22 91.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.975 0.417 . . . . 0.0 110.656 177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.98 93.41 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.112 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -64.09 -39.94 95.16 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 36' ' ' ILE . 80.6 mt -56.86 -53.64 39.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.238 175.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.02 -45.27 87.18 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.493 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.3 m -56.33 -49.13 75.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.245 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -59.83 -46.97 87.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.597 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 40' ' ' ILE . 62.9 t -61.68 -47.36 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.783 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.78 HD12 HD11 ' B' ' 69' ' ' LEU . 94.4 mt -63.25 -32.4 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 111.733 -177.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -78.13 -41.84 33.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -117.57 -34.29 4.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -110.74 18.88 19.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -165.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 3.9 p -139.82 164.88 22.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -77.92 143.94 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.367 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.45 -46.35 80.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.261 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 m -63.31 -29.48 70.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.604 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.515 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 8.1 tp60 -87.49 -16.6 34.27 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.349 -172.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 14.2 mtm-85 -53.89 -58.68 6.37 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -173.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.53 -39.81 94.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.92 0.39 . . . . 0.0 110.544 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.04 -48.16 63.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.762 -175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.9 tt -74.03 -30.37 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.12 71.52 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.192 0.52 . . . . 0.0 110.005 175.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -68.97 -37.67 78.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.863 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.646 ' HB3' ' HZ3' ' A' ' 60' ' ' LYS . 9.2 mtpm? -56.96 -45.7 82.66 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.51 ' HB2' HD23 ' B' ' 34' ' ' LEU . 86.6 t80 -58.58 -53.99 52.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.722 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.9 -46.91 87.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.721 -176.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 6.8 tp60 -67.62 -39.25 84.69 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.618 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.92 76.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.325 0.583 . . . . 0.0 110.191 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.3 tp -70.08 -41.67 73.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.5 mmt -79.18 -11.6 59.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.327 -176.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 p -94.64 -25.25 16.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 p -91.01 -25.44 19.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.182 0.515 . . . . 0.0 110.381 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.427 HD11 ' CG ' ' B' ' 54' ' ' ARG . 58.1 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.667 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.42 -27.08 69.05 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.849 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 4.9 tm-20 -60.14 -47.61 85.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 174.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -61.17 -52.44 64.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.906 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 98.0 t -59.38 -41.74 85.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.64 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.64 -40.9 93.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 32.5 mmtp -65.14 -45.55 84.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.16 -41.91 94.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.364 . . . . 0.0 110.239 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 95.7 mt -60.77 -42.64 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.654 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.54 95.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 29.3 mm-40 -62.47 -50.73 70.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.446 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.586 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 97.1 t -59.89 -49.3 84.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.04 75.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.582 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.09 -43.38 87.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.104 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 18' ' ' GLU . 95.7 t -61.01 -38.88 80.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 110.521 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 75.6 mt -61.83 -49.92 74.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.369 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.59 -33.28 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.538 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.11 -37.78 78.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.756 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -99.28 7.12 45.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.81 41.44 28.05 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 122.779 0.432 . . . . 0.0 111.889 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 149.99 49.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.214 0.53 . . . . 0.0 111.778 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -89.81 165.22 25.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.253 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.21 -49.67 14.53 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.807 2.338 . . . . 0.0 113.531 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -32.22 64.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.438 -176.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.41 HD12 ' HE2' ' B' ' 35' ' ' MET . 57.1 tp -61.29 -45.76 93.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.168 0.509 . . . . 0.0 109.641 171.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.421 HG21 HD13 ' B' ' 23' ' ' LEU . 55.3 m -55.52 -49.13 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.038 176.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 61' ' ' PHE . 7.7 tt -69.03 -34.82 75.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.757 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.41 ' HE2' HD12 ' B' ' 32' ' ' LEU . 10.4 tmm? -65.66 -38.02 88.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.096 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.21 -45.23 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.615 175.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.35 -37.49 75.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.521 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.82 89.33 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.01 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -59.32 -37.76 78.6 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.542 0.211 . . . . 0.0 110.817 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.439 ' O ' HG23 ' B' ' 44' ' ' VAL . 72.2 mt -59.26 -56.02 19.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.237 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.65 86.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.046 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 49.4 m -57.66 -53.29 59.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.45 -45.96 90.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 58.7 t -63.44 -47.2 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.088 -178.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.03 -25.24 65.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -92.07 -46.36 7.82 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.823 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -113.46 -7.12 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -169.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.577 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 97.8 mtt180 -131.96 23.0 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 p -146.93 158.24 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.85 146.39 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.618 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.68 98.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.556 0.217 . . . . 0.0 111.452 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 16.2 m -65.41 -31.01 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.217 0.532 . . . . 0.0 110.37 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.414 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 13.5 tp60 -85.52 -18.53 33.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.343 -178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.427 ' CG ' HD11 ' A' ' 69' ' ' LEU . 32.8 ttm180 -53.38 -59.99 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.765 -169.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -79.36 -16.77 55.73 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.242 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -80.3 -45.79 17.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.131 0.491 . . . . 0.0 109.774 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.414 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.5 tt -73.53 -29.05 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.882 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.82 -34.02 68.97 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.107 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.04 -44.17 93.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -62.24 -48.58 79.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.229 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.24 -51.14 69.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.434 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.97 83.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.051 0.453 . . . . 0.0 110.949 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -66.17 -36.77 83.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.83 86.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.623 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.75 -46.6 88.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.435 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -26.35 64.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.396 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.0 m -78.18 -24.8 47.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.959 0.409 . . . . 0.0 110.345 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -97.62 1.12 48.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.44 0.638 . . . . 0.0 109.869 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.78 HD11 HD12 ' A' ' 45' ' ' LEU . 7.9 tt . . . . . 0 N--CA 1.449 -0.49 0 CA-C-N 115.513 -0.767 . . . . 0.0 108.992 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.4 m -52.94 114.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.695 0.622 . . . . 0.0 110.76 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -54.94 -44.53 74.39 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.262 -173.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.753 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 22.8 mt-10 -55.38 -49.5 72.15 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.077 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -55.2 -47.96 74.53 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.497 0.498 . . . . 0.0 110.987 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.9 t -61.42 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.017 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.79 -34.39 77.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.375 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.753 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 30.8 mmtp -65.65 -48.23 72.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.097 0.475 . . . . 0.0 110.068 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.88 -42.11 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.952 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -59.43 -36.14 75.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.789 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.12 81.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.676 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.93 -46.63 86.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.014 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.26 -41.66 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.745 0.307 . . . . 0.0 111.076 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.14 78.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.6 mt -69.94 -31.05 68.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.976 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -66.02 -42.09 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.255 0.55 . . . . 0.0 109.832 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.8 mt -69.07 -39.21 79.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.344 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.83 -44.91 88.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.392 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -68.19 -23.67 64.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.691 0.281 . . . . 0.0 111.495 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -93.84 -4.18 50.55 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.189 -0.204 . . . . 0.0 111.022 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.42 44.14 27.59 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.558 0.536 . . . . 0.0 110.666 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -62.85 131.08 47.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.578 -176.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -72.98 163.8 65.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.856 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -52.72 -46.08 36.02 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.52 2.147 . . . . 0.0 112.676 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -69.44 -39.41 77.82 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.462 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 28' ' ' ALA . 58.5 tp -62.61 -46.9 86.14 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.086 0.469 . . . . 0.0 109.79 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.1 m -53.45 -51.14 63.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.952 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' B' ' 61' ' ' PHE . 8.5 tt -70.73 -34.9 72.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.842 -176.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.9 ttp -64.76 -34.08 77.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.27 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 40' ' ' ILE . 31.1 mt -64.6 -42.36 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.524 175.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.1 83.68 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.621 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.81 -41.0 99.93 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.179 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -62.03 -41.74 98.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.47 0.176 . . . . 0.0 110.547 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 36' ' ' ILE . 86.8 mt -56.45 -56.49 13.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.8 -53.73 54.46 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.36 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.4 m -55.16 -43.07 73.92 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.095 0.474 . . . . 0.0 111.489 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -63.95 -47.46 80.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.58 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.56 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 87.8 t -65.98 -35.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.744 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.71 HD11 HD11 ' B' ' 69' ' ' LEU . 96.0 mt -65.15 -25.92 67.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.845 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -89.8 -41.43 11.86 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.091 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.56 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 28.8 pt20 -136.59 137.58 40.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.86 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 94.9 mtt-85 91.95 14.65 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.182 1.393 . . . . 0.0 110.854 -178.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.464 HG13 ' HA ' ' A' ' 45' ' ' LEU . 1.3 p -141.39 158.93 22.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 120.762 0.315 . . . . 0.0 110.314 173.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . . . -79.66 163.08 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.805 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.34 -41.44 56.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.482 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -63.12 -34.57 77.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.339 0.59 . . . . 0.0 110.121 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -88.33 -8.0 55.82 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.568 -176.693 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -60.11 -67.91 0.34 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.935 -170.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -74.66 -26.9 60.16 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.1 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -48.32 72.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.241 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.1 tt -69.9 -32.25 51.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.044 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.34 88.49 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.931 0.396 . . . . 0.0 110.764 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.16 -40.18 71.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.56 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -60.19 -40.87 91.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.099 0.476 . . . . 0.0 110.129 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -60.61 -51.22 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.08 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -57.08 -40.74 77.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -65.29 -47.46 76.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.271 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.04 -38.52 79.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.676 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.17 -42.54 96.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.483 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 25.4 mmt -71.61 -31.0 66.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.176 0.513 . . . . 0.0 110.301 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.3 m -71.71 -19.01 62.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.067 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -110.53 13.0 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.39 0.614 . . . . 0.0 110.499 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 tp . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.148 179.377 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.507 0.194 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.1 -40.31 73.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.208 0.528 . . . . 0.0 110.809 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.549 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 2.0 mp0 -53.73 -48.45 69.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.228 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.554 ' O ' HG13 ' B' ' 15' ' ' ILE . 6.8 tt0 -70.63 -40.75 72.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.62 -176.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.484 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 80.8 t -58.84 -44.78 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.63 -42.31 74.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.191 0.52 . . . . 0.0 110.495 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 34.3 mmtp -69.9 -44.12 70.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.593 -178.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 11' ' ' GLN . 54.8 mt -62.96 -41.41 92.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.782 0.325 . . . . 0.0 110.289 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 93.5 mt -58.37 -40.41 82.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.547 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.93 89.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.655 177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.478 ' O ' HG22 ' B' ' 22' ' ' VAL . 46.9 mt-10 -57.58 -49.88 74.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.725 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.515 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 87.9 t -62.3 -48.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.167 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.496 ' HA ' HD13 ' B' ' 23' ' ' LEU . . . -61.38 -34.46 75.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.86 0.362 . . . . 0.0 111.146 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 tt -66.02 -39.81 90.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.332 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.478 HG22 ' O ' ' B' ' 18' ' ' GLU . 66.1 t -63.0 -38.4 81.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.224 0.535 . . . . 0.0 110.275 177.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 58.6 mt -64.17 -49.64 71.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.341 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -71.66 -21.77 61.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.198 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.9 -33.62 76.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.445 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -104.9 4.99 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.07 44.56 22.4 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.292 0.568 . . . . 0.0 110.792 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.65 122.7 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.31 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.43 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 33.4 m -71.4 159.77 84.53 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.056 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 1.7 Cg_endo -44.03 -48.37 9.42 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.657 2.905 . . . . 0.0 113.429 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.415 ' OE2' ' HG2' ' B' ' 30' ' ' PRO . 3.1 mp0 -57.39 -50.43 72.99 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.302 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.488 ' HA ' ' HE1' ' B' ' 35' ' ' MET . 54.8 tp -63.49 -47.21 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.898 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.475 HG23 HD12 ' B' ' 23' ' ' LEU . 53.5 m -56.96 -50.25 73.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.515 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 tt -72.77 -31.21 64.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.294 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' B' ' 32' ' ' LEU . 14.9 ttm -61.33 -39.82 91.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.204 0.526 . . . . 0.0 109.961 175.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.84 -44.03 98.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.741 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.86 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.48 . . . . 0.0 110.168 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.72 -46.16 92.65 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.114 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -55.75 -39.95 71.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.52 0.2 . . . . 0.0 110.696 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.431 ' O ' HG22 ' B' ' 44' ' ' VAL . 75.2 mt -59.96 -59.75 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.477 175.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.488 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.64 -42.24 83.01 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.354 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 53.1 m -56.63 -52.97 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.043 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.23 -41.53 97.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.522 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.838 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 69.3 t -62.39 -49.33 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.72 177.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 91.2 mt -68.74 -16.54 63.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.889 -176.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -97.96 -51.2 4.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -122.68 6.24 9.45 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -168.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.838 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 28.5 mmt180 -123.94 10.51 8.87 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.206 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.54 HG21 ' HB3' ' B' ' 53' ' ' GLN . 9.8 p -144.62 152.67 15.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.837 0.351 . . . . 0.0 110.374 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.41 151.64 42.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.744 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.46 80.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.789 0.328 . . . . 0.0 111.235 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -66.79 -30.05 70.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.403 0.621 . . . . 0.0 110.472 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.54 ' HB3' HG21 ' B' ' 49' ' ' VAL . 5.1 tp60 -94.17 -4.96 48.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.448 -174.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.65 -65.05 0.75 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.9 -169.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.7 -29.38 67.81 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.943 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.62 -49.92 71.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.127 0.489 . . . . 0.0 109.829 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.453 HG21 HG22 ' B' ' 49' ' ' VAL . 9.9 tt -75.03 -28.58 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.36 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.71 80.51 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.15 0.5 . . . . 0.0 110.159 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.68 -36.91 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.99 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -56.74 -54.31 47.77 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.886 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.494 ' HB2' HD23 ' A' ' 34' ' ' LEU . 90.6 t80 -58.15 -53.32 59.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.467 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -62.1 -48.93 77.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.698 -175.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -65.9 -41.43 91.5 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.649 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.34 96.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 0.0 110.403 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 tp -62.7 -38.74 91.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.259 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.5 mmt -76.74 -34.5 58.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 65.1 p -73.82 -21.76 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 0.0 110.766 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 18.0 t -103.21 9.36 38.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.227 0.537 . . . . 0.0 109.853 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.71 HD11 HD11 ' A' ' 45' ' ' LEU . 68.9 tp . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.012 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.2 m -89.8 124.0 34.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.552 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -58.89 -40.44 84.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.315 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.92 -42.33 75.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.352 . . . . 0.0 111.131 176.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.534 ' O ' HG13 ' A' ' 15' ' ' ILE . 8.5 tt0 -69.32 -55.26 10.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.202 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' B' ' 32' ' ' LEU . 60.4 t -55.96 -51.25 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.332 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.85 -44.14 97.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -29.25 63.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.276 -176.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 11' ' ' GLN . 77.8 mt -65.3 -47.85 85.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 172.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.446 HD23 HG22 ' B' ' 36' ' ' ILE . 89.1 mt -57.94 -41.6 83.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.737 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.89 86.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.265 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.65 -38.56 83.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.171 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 15' ' ' ILE . 99.8 t -64.28 -45.39 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.96 0.409 . . . . 0.0 110.106 176.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.67 71.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.102 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.06 -40.85 82.69 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.11 -47.6 92.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.198 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.9 -37.92 77.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.687 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.22 -51.86 22.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.762 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -63.4 -40.7 97.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.516 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -86.76 1.37 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.021 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.02 45.14 21.59 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 123.658 0.599 . . . . 0.0 111.678 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.61 123.63 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -65.51 155.54 85.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.4 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HB3' ' HD3' ' B' ' 48' ' ' ARG . 53.6 Cg_exo -52.74 -46.73 31.5 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.71 2.273 . . . . 0.0 112.466 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.94 -45.85 93.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.98 0.419 . . . . 0.0 110.375 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HA ' ' HE2' ' A' ' 35' ' ' MET . 65.6 tp -61.18 -38.78 87.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.478 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -58.88 -53.05 62.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.187 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.52 -31.43 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.976 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.506 ' HE2' ' HA ' ' A' ' 32' ' ' LEU . 24.3 ttm -55.69 -49.64 72.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.427 0.632 . . . . 0.0 110.171 173.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.47 -38.09 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.183 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.41 82.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.016 0.436 . . . . 0.0 110.71 175.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.17 -36.2 89.72 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.259 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -63.56 -41.42 98.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.972 0.415 . . . . 0.0 110.0 177.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.62 -52.37 62.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.643 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.37 -51.16 67.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.391 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.3 m -57.56 -48.72 78.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.33 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -59.79 -41.06 90.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.152 0.501 . . . . 0.0 111.202 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.595 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 54.5 t -65.56 -42.6 93.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.284 176.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.833 HD11 HD13 ' B' ' 69' ' ' LEU . 96.1 mt -63.91 -17.15 62.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -84.7 -62.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.988 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -109.6 -41.42 4.57 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.595 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 14.1 mmt85 -82.7 10.82 6.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -168.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.443 HG21 HG23 ' A' ' 57' ' ' ILE . 8.5 p -136.66 153.06 29.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.12 145.96 41.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.629 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -53.87 -42.19 68.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.996 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.2 t -76.62 -4.01 40.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.446 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -111.47 -10.53 14.17 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.268 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 65.7 mtt-85 -50.55 -65.14 0.61 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -171.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 tmtp? -71.2 -26.07 62.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.044 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.71 -46.69 57.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.01 0.433 . . . . 0.0 109.935 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.443 HG23 HG21 ' A' ' 49' ' ' VAL . 13.4 tt -72.07 -26.82 25.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.161 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.52 -32.55 70.06 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.258 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.08 -43.69 91.36 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -54.72 -50.69 67.72 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.033 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -57.66 -54.4 47.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.056 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -63.26 -45.3 92.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.611 -176.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.07 -44.88 94.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.422 . . . . 0.0 110.385 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.9 85.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.449 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 tp -69.25 -38.31 78.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.555 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 31.3 mmt -64.07 -39.09 93.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.0 110.272 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t -74.88 -28.51 60.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.583 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.2 m -88.03 2.46 51.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.296 0.57 . . . . 0.0 110.561 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 66' ' ' MET . 7.6 mt . . . . . 0 N--CA 1.451 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.151 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 79.3 m . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.02 -42.92 69.66 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.738 -176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 1.6 tp10 -55.53 -54.29 45.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.593 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -51.93 -55.77 18.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.597 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.9 t -58.24 -49.11 82.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.155 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -58.55 -47.27 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 65.4 mmtt -69.2 -44.16 72.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.779 -174.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.43 -39.37 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.928 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.11 -44.04 97.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.686 0.279 . . . . 0.0 110.574 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.67 96.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.471 ' O ' HG22 ' B' ' 22' ' ' VAL . 5.9 mm-40 -57.67 -53.25 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.095 177.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.19 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.978 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.1 90.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.83 -41.42 97.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.414 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.471 HG22 ' O ' ' B' ' 18' ' ' GLU . 87.3 t -59.63 -40.89 83.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.949 0.404 . . . . 0.0 110.462 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.16 -38.31 87.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.21 -27.05 61.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -64.37 -24.99 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.138 0.494 . . . . 0.0 110.842 176.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -110.14 -3.52 16.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.481 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 51.69 50.98 17.59 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 123.7 0.625 . . . . 0.0 110.308 -174.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.99 138.24 56.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.483 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -73.94 158.0 86.42 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.304 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.476 ' O ' ' HB ' ' B' ' 33' ' ' THR . 51.5 Cg_exo -53.22 -50.82 12.65 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.143 2.562 . . . . 0.0 113.986 -175.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.92 -32.6 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.428 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.454 ' O ' HG12 ' B' ' 36' ' ' ILE . 47.1 tp -63.2 -39.13 93.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.053 0.454 . . . . 0.0 109.996 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.476 ' HB ' ' O ' ' B' ' 30' ' ' PRO . 72.3 m -56.66 -48.9 76.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.739 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -69.97 -30.55 67.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.289 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.1 ttm -61.76 -41.87 98.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.163 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.464 ' O ' HG13 ' B' ' 40' ' ' ILE . 40.3 mm -58.62 -47.95 87.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.796 175.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.49 90.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.092 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.17 -44.05 96.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 121.173 -0.536 . . . . 0.0 112.608 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -60.9 -41.77 96.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.332 0.111 . . . . 0.0 110.839 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 36' ' ' ILE . 88.8 mt -54.19 -56.38 9.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.309 176.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.12 -48.52 78.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.779 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 56.5 m -57.15 -41.33 78.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.937 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -41.02 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.035 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.01 -40.2 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 110.385 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 90.0 mt -66.1 -38.04 87.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.468 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.406 ' HB3' ' HG3' ' B' ' 47' ' ' GLN . 2.1 m-80 -69.59 -57.81 4.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.468 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' B' ' 48' ' ' ARG . 53.9 mt-30 -124.83 76.29 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.259 -171.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.451 ' HD3' ' HB3' ' A' ' 30' ' ' PRO . 13.6 mtt85 173.81 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.19 0.931 . . . . 0.0 110.856 173.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.483 HG22 HG21 ' B' ' 57' ' ' ILE . 7.1 p -80.66 156.6 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.899 0.38 . . . . 0.0 110.579 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 146.33 50.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.27 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.11 77.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.113 0.482 . . . . 0.0 110.801 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.0 m -67.7 -28.69 67.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.46 ' HB3' HG21 ' B' ' 49' ' ' VAL . 23.8 tt0 -96.52 -6.11 37.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.205 -175.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.436 ' HG2' HD22 ' A' ' 69' ' ' LEU . 21.5 ttm180 -60.39 -60.37 3.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.88 -169.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -75.35 -27.17 59.09 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.601 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.54 -45.79 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.239 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.483 HG21 HG22 ' B' ' 49' ' ' VAL . 11.1 tt -72.71 -27.4 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.69 70.32 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.343 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.25 -50.04 75.22 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.763 176.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -53.26 -48.7 68.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.543 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.82 -50.04 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.312 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -61.13 -47.17 87.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.305 -177.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.51 -38.98 91.28 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.2 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.99 0.424 . . . . 0.0 110.327 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.41 -43.0 99.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.216 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 26.3 mmt -70.71 -19.21 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -79.03 -38.8 35.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.18 176.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -84.19 -14.63 49.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.465 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.833 HD13 HD11 ' A' ' 45' ' ' LEU . 54.6 tp . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.893 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.531 ' HH ' ' HB2' ' B' ' 31' ' ' GLU . 65.7 m-85 . . . . . 0 C--O 1.236 0.385 0 CA-C-O 121.297 0.57 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -92.65 141.53 28.37 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.782 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.7 -27.28 69.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.274 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.0 -53.66 54.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.433 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 15' ' ' ILE . 51.2 tt0 -58.18 -49.47 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.528 -177.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 58.9 t -60.66 -51.04 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.016 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.06 -43.86 98.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.37 -39.27 89.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.39 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 11' ' ' GLN . 59.9 mt -71.76 -39.54 68.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.594 178.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 86.3 mt -58.81 -43.73 90.62 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -58.46 -42.43 87.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.741 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' HG21 ' A' ' 22' ' ' VAL . 17.1 mm-40 -57.85 -53.19 60.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 59.0 t -60.29 -45.11 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.89 84.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.228 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 48.7 mt -68.48 -35.76 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.928 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 18' ' ' GLU . 87.6 t -63.14 -42.62 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.267 0.556 . . . . 0.0 109.833 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 67.3 mt -65.57 -42.98 91.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.371 177.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.84 -48.32 74.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.542 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -65.1 -23.2 67.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.837 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -102.56 5.16 39.16 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.239 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.37 43.88 28.16 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.505 0.503 . . . . 0.0 111.554 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.42 124.52 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.427 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 55.8 m -75.63 164.38 61.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.515 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.602 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 75.0 Cg_exo -50.71 -50.6 13.25 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.275 2.65 . . . . 0.0 113.553 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -58.27 -46.78 85.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.819 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.42 HD12 HG23 ' B' ' 12' ' ' VAL . 61.4 tp -61.17 -47.75 84.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.448 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.407 HG22 HD12 ' A' ' 23' ' ' LEU . 62.8 m -54.84 -49.98 69.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.265 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' B' ' 61' ' ' PHE . 7.4 tt -70.55 -33.08 70.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.572 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.9 ttp -68.17 -33.04 73.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.158 0.504 . . . . 0.0 110.132 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.437 ' O ' HG13 ' A' ' 40' ' ' ILE . 39.0 mt -61.83 -41.77 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.418 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.19 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.44 ' CA ' ' HE1' ' B' ' 61' ' ' PHE . . . -63.35 -42.0 99.28 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.042 176.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -61.01 -41.51 96.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.587 0.232 . . . . 0.0 110.483 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 36' ' ' ILE . 82.7 mt -57.72 -58.98 3.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.56 -46.2 77.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.59 -178.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -58.95 -51.16 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.54 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -63.35 -32.06 73.38 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.709 0.29 . . . . 0.0 111.454 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 88.3 t -69.24 -46.55 77.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.595 HD12 ' HG ' ' B' ' 69' ' ' LEU . 96.0 mt -59.15 -32.03 69.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 177.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -67.95 -67.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.403 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -134.06 23.69 3.87 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -166.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.577 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 38.8 mtp85 -142.72 29.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.897 0.379 . . . . 0.0 111.272 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 4.1 p -151.05 158.35 4.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.685 177.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -75.17 140.6 43.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.538 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.03 -42.82 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.315 0.384 . . . . 0.0 111.208 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 m -70.61 -23.5 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.704 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -87.52 -24.25 24.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.937 -177.598 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 93.6 mtt180 -46.12 -53.34 10.54 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -172.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -72.74 -40.63 65.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.365 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' HA ' HD22 ' A' ' 56' ' ' LEU . 4.2 mt -63.39 -47.19 83.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.717 0.294 . . . . 0.0 111.391 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.546 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 16.1 tt -70.26 -28.26 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 -175.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -46.29 58.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.648 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.65 -44.64 93.22 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -55.31 -46.25 76.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.467 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.505 ' HB2' HD23 ' B' ' 34' ' ' LEU . 85.0 t80 -59.3 -53.3 59.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.886 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.598 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -61.01 -43.7 98.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.247 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.14 -48.08 83.22 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.02 85.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.781 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -67.47 -38.93 85.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.598 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.8 mmt -75.15 -32.03 61.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.707 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.2 p -79.28 -9.97 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.105 0.479 . . . . 0.0 110.441 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.6 m -110.99 7.91 21.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.196 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 tp . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.918 178.72 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -55.84 -42.51 75.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.914 -173.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.16 -37.56 80.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.655 0.264 . . . . 0.0 110.753 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.533 ' O ' HG13 ' B' ' 15' ' ' ILE . 28.5 tt0 -63.75 -50.08 70.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.922 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.42 HG23 HD12 ' A' ' 32' ' ' LEU . 52.7 t -58.42 -45.6 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.265 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -54.86 -44.28 73.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.215 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.3 -39.19 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.505 -177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.533 HG13 ' O ' ' B' ' 11' ' ' GLN . 64.4 mt -62.51 -46.07 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.93 -40.05 87.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.43 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.87 -49.59 77.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.035 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.464 ' O ' HG22 ' B' ' 22' ' ' VAL . 45.2 mt-10 -66.05 -47.15 75.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.233 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.539 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 74.8 t -59.68 -46.84 92.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.678 0.275 . . . . 0.0 110.854 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.82 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.822 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 tp -68.06 -40.58 82.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.199 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.464 HG22 ' O ' ' B' ' 18' ' ' GLU . 78.5 t -59.31 -41.05 82.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.039 0.447 . . . . 0.0 110.257 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 64.0 mt -61.01 -47.99 83.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.116 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -65.15 -49.71 68.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.745 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.14 -36.92 68.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.77 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -92.88 2.17 56.91 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.26 49.32 15.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.19 0.519 . . . . 0.0 111.064 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.99 125.53 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.851 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.0 p -71.42 157.87 89.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.428 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.55 -41.4 60.82 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.956 2.437 . . . . 0.0 112.162 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.531 ' HB2' ' HH ' ' A' ' 7' ' ' TYR . 4.9 mp0 -56.91 -50.59 72.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.171 177.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.409 ' O ' HG13 ' B' ' 36' ' ' ILE . 59.2 tp -66.41 -47.55 72.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.457 -177.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.453 HG22 HD12 ' B' ' 23' ' ' LEU . 87.0 m -52.47 -51.86 57.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.674 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.505 HD23 ' HB2' ' A' ' 61' ' ' PHE . 4.3 tt -72.41 -31.3 65.4 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.82 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.7 ttp -71.16 -34.05 70.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 32' ' ' LEU . 49.4 mt -60.8 -44.23 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.236 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.41 76.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.088 0.471 . . . . 0.0 110.54 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.71 93.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.369 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -66.01 -41.49 90.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.522 ' O ' HG21 ' B' ' 44' ' ' VAL . 1.5 mp -56.36 -51.1 68.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.15 174.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.574 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.09 -43.89 91.87 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.586 0.231 . . . . 0.0 110.752 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.2 m -60.74 -44.64 96.43 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.171 0.51 . . . . 0.0 110.848 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -66.13 -35.14 79.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.125 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.727 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 72.8 t -65.47 -45.63 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.99 174.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 90.0 mt -61.83 -21.47 64.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -96.78 -55.45 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -110.11 10.47 23.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.723 0.297 . . . . 0.0 111.785 -166.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.727 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 7.6 mpt_? -129.23 -51.03 1.2 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.956 0.408 . . . . 0.0 111.662 -174.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.657 HG21 ' HB3' ' B' ' 53' ' ' GLN . 4.2 p -86.48 158.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.335 -172.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.05 155.14 27.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.404 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.86 88.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.776 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.4 m -74.7 -11.68 60.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.185 0.517 . . . . 0.0 111.08 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.657 ' HB3' HG21 ' B' ' 49' ' ' VAL . 6.0 tp-100 -99.81 -4.29 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.193 -177.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -55.0 -62.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.612 -170.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 10.3 tmtt? -78.86 -31.52 45.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.116 -172.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.16 -50.01 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.463 HG21 HG22 ' B' ' 49' ' ' VAL . 12.8 tt -67.44 -33.41 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 -177.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.76 -43.4 79.93 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.383 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.72 -48.45 80.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.07 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -56.73 -39.4 73.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.457 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.475 ' HB2' HD23 ' A' ' 34' ' ' LEU . 48.5 t80 -69.23 -53.37 20.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.877 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.38 -43.38 92.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.397 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -64.21 -40.34 95.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.654 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.9 87.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.423 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.03 -40.29 94.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.29 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.652 ' HE3' ' HA ' ' B' ' 66' ' ' MET . 28.4 mmt -63.12 -40.52 97.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.984 0.421 . . . . 0.0 110.432 176.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.4 t -71.03 -19.43 62.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.085 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 29.0 m -99.59 -2.92 34.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.023 0.44 . . . . 0.0 111.035 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.595 ' HG ' HD12 ' A' ' 45' ' ' LEU . 2.8 tt . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.44 ' HB3' ' OE1' ' A' ' 11' ' ' GLN . 82.5 m-85 . . . . . 0 C--O 1.233 0.202 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.424 ' OG1' ' HB2' ' A' ' 11' ' ' GLN . 49.7 p -77.18 143.05 39.33 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.747 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -60.35 -36.03 77.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.377 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.59 -42.15 98.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.047 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 15' ' ' ILE . 52.9 tt0 -57.99 -52.56 65.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.337 0.589 . . . . 0.0 110.21 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.41 -42.98 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.365 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.05 -45.0 71.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.245 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.17 -42.63 75.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.068 -177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 11' ' ' GLN . 50.5 mt -67.37 -44.27 87.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.107 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD23 HG22 ' B' ' 36' ' ' ILE . 47.1 mt -57.86 -43.72 86.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 176.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.48 83.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.182 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -72.41 -36.22 68.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.575 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 15' ' ' ILE . 88.4 t -64.18 -46.22 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.029 0.442 . . . . 0.0 110.265 176.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.21 77.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.542 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.576 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 8.0 tt -61.44 -40.31 94.0 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.004 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.71 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 75.9 t -61.55 -48.43 88.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.108 0.48 . . . . 0.0 110.467 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.483 HD12 HG21 ' A' ' 33' ' ' THR . 62.6 mt -63.7 -33.83 76.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.533 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.83 -48.34 71.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.119 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.71 ' HE2' ' HA ' ' A' ' 22' ' ' VAL . 45.6 mtmt -56.69 -37.02 70.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.912 0.387 . . . . 0.0 111.52 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 89.0 m-70 -93.33 -3.24 53.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.404 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.09 46.96 22.98 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.533 0.521 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.12 130.66 44.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.721 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.498 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 24.9 m -79.13 159.88 72.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.074 176.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 1.3 Cg_endo -45.75 -47.38 13.86 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.627 2.885 . . . . 0.0 114.276 -176.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.9 -41.36 99.4 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.951 0.405 . . . . 0.0 110.324 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.554 ' O ' HG12 ' A' ' 36' ' ' ILE . 37.3 tp -69.32 -29.12 66.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.478 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.483 HG21 HD12 ' A' ' 23' ' ' LEU . 17.6 m -64.08 -47.44 80.09 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.025 0.44 . . . . 0.0 110.255 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' B' ' 61' ' ' PHE . 6.6 mp -76.77 -20.72 56.14 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.913 177.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.451 ' HB3' ' O ' ' A' ' 32' ' ' LEU . 41.5 tpp -57.85 -48.67 79.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.632 ' O ' HG12 ' A' ' 40' ' ' ILE . 38.1 mm -63.04 -53.66 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.514 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.48 -45.4 91.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.772 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.41 -47.69 74.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.521 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -62.91 -33.56 75.57 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.519 0.199 . . . . 0.0 110.951 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.632 HG12 ' O ' ' A' ' 36' ' ' ILE . 49.1 mm -58.99 -54.24 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.75 89.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.101 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -58.82 -47.28 85.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.815 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.5 -34.35 76.7 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.612 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.749 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 90.7 t -64.17 -46.66 92.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 174.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' O ' ' HD3' ' A' ' 54' ' ' ARG . 94.5 mt -65.27 -23.57 67.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.402 . . . . 0.0 111.064 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -78.96 -51.05 10.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.851 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -134.19 -10.33 2.58 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -170.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.749 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 48.3 mtt180 -111.22 19.53 18.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.918 -0.489 . . . . 0.0 112.148 -171.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.695 HG21 ' H ' ' A' ' 50' ' ' ALA . 5.1 p -148.54 175.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.867 -176.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.695 ' H ' HG21 ' A' ' 49' ' ' VAL . . . -96.79 148.13 23.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.883 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.35 -60.01 3.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.414 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.2 m -69.23 -19.5 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 111.274 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.718 ' HG3' HG12 ' A' ' 57' ' ' ILE . 12.5 tp60 -88.07 -18.15 29.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -175.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 10.8 mtm-85 -51.09 -51.18 55.91 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -173.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -61.36 -45.41 94.51 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.193 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.489 ' HB3' HE21 ' A' ' 53' ' ' GLN . 9.3 tt -68.82 -36.06 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.08 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.718 HG12 ' HG3' ' A' ' 53' ' ' GLN . 12.6 mm -62.36 -46.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.827 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.78 88.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.653 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -61.47 -50.35 73.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.97 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.84 -35.84 81.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.398 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB2' HD23 ' B' ' 34' ' ' LEU . 62.4 t80 -66.91 -51.31 56.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.765 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.52 92.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.108 0.48 . . . . 0.0 110.844 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.63 -36.37 82.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.075 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.3 89.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.45 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.2 -48.33 82.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.123 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.9 mmt -72.68 -30.04 63.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.17 -176.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 m -80.02 -33.23 39.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.95 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.4 m -93.73 10.15 34.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.933 0.397 . . . . 0.0 110.479 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.9 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.597 -178.514 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -57.98 -38.59 76.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.723 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.466 ' O ' ' HD3' ' B' ' 14' ' ' LYS . 41.6 mt-10 -54.85 -56.2 22.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.176 0.512 . . . . 0.0 110.671 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.498 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.6 tp-100 -58.35 -47.41 83.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.72 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.93 -47.61 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.442 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.14 -47.23 83.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.972 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' B' ' 10' ' ' GLU . 4.9 mptp? -69.63 -33.75 73.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.513 -175.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 11' ' ' GLN . 69.7 mt -68.88 -46.86 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.291 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.547 HD22 HG22 ' A' ' 36' ' ' ILE . 75.7 mt -57.03 -40.94 77.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.525 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.27 87.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.297 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.455 ' O ' HG21 ' B' ' 22' ' ' VAL . 24.7 mt-10 -72.65 -39.45 67.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.531 -178.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.624 HG23 HG21 ' A' ' 36' ' ' ILE . 98.2 t -62.81 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.184 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.43 -33.37 75.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.44 -40.11 95.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.267 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.455 HG21 ' O ' ' B' ' 18' ' ' GLU . 90.1 t -63.21 -42.89 98.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.157 0.503 . . . . 0.0 110.204 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.467 HD11 HG22 ' B' ' 33' ' ' THR . 68.4 mt -62.92 -45.36 92.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.196 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.73 -40.68 97.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.637 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -65.05 -21.0 66.76 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.571 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -109.15 -0.11 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.424 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.82 49.52 20.08 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.809 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.62 126.51 29.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.77 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 72.9 p -75.68 161.07 77.58 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.081 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -44.83 -48.52 10.58 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.446 2.764 . . . . 0.0 113.76 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 1.9 mp0 -56.94 -50.53 72.31 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.231 0.538 . . . . 0.0 110.078 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.24 -44.39 88.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.112 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.467 HG22 HD11 ' B' ' 23' ' ' LEU . 99.1 m -53.02 -53.88 43.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.487 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.466 HD23 ' HB2' ' A' ' 61' ' ' PHE . 8.1 tt -71.01 -36.41 72.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.936 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 29.2 ttp -64.58 -41.8 96.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.682 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.557 HG22 HD23 ' A' ' 16' ' ' LEU . 52.2 mt -57.83 -44.84 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 177.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.5 -31.83 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.623 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.92 -43.86 92.93 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.017 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -60.51 -40.32 90.98 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.536 HG12 ' O ' ' B' ' 36' ' ' ILE . 42.5 mm -57.95 -59.29 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.673 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.51 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.07 -48.89 79.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.254 -177.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 50.5 m -59.71 -46.81 87.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.379 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.458 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 4.0 t-20 -60.41 -41.38 93.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.053 0.454 . . . . 0.0 110.638 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.469 HG22 HG23 ' A' ' 33' ' ' THR . 45.3 t -65.89 -40.96 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.606 176.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 93.5 mt -60.32 -22.16 62.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.481 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -85.24 -52.37 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.487 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 3.4 pp0? -125.15 -8.04 7.09 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -166.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.549 ' HA ' ' NE ' ' B' ' 48' ' ' ARG . 4.4 mmp_? -110.53 -43.47 3.86 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.447 -176.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.478 HG21 HG21 ' B' ' 57' ' ' ILE . 9.6 p -71.27 157.78 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.607 0.241 . . . . 0.0 110.461 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.53 139.51 58.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 111.012 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.531 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . . . -61.21 -30.6 70.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.79 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.4 t -90.3 5.37 47.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.719 0.295 . . . . 0.0 110.957 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -124.57 6.08 8.25 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.041 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.531 ' NE ' ' HA ' ' B' ' 51' ' ' ALA . 21.3 mmt180 -55.32 -69.21 0.14 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.19 0.519 . . . . 0.0 111.978 -172.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -69.53 -32.96 72.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.748 -172.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.19 -46.29 84.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.263 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.478 HG21 HG21 ' B' ' 49' ' ' VAL . 11.7 tt -71.98 -29.68 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.535 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -34.46 77.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 110.055 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.51 -45.35 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.555 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.406 ' HA ' ' HB3' ' B' ' 63' ' ' GLN . 22.3 mtpp -68.26 -31.86 71.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.355 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.469 ' CD1' HD21 ' A' ' 34' ' ' LEU . 88.5 t80 -64.86 -49.37 70.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.995 0.426 . . . . 0.0 110.138 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -63.96 -38.99 93.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.94 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . 0.406 ' HB3' ' HA ' ' B' ' 60' ' ' LYS . 29.5 tt0 -53.09 -48.3 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.461 173.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.36 -45.12 76.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 0.0 110.799 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.91 -47.3 81.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.525 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 21.4 mmt -69.05 -30.81 69.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.124 0.488 . . . . 0.0 110.804 -178.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 63.3 m -78.99 -18.46 53.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.049 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.9 p -107.33 6.46 28.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.44 . . . . 0.0 110.491 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 tp . . . . . 0 C--O 1.234 0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.965 178.064 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.42 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 92.7 m-85 . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 111.824 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -85.82 123.96 31.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.969 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.4 -46.49 66.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.237 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -59.02 -55.23 37.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.642 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.543 ' O ' HG13 ' A' ' 15' ' ' ILE . 49.6 mt-30 -55.36 -51.21 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.06 0.225 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 8' ' ' THR . 58.1 t -57.47 -52.09 61.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.058 0.456 . . . . 0.0 111.463 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -67.66 -39.15 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.773 -174.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 17.3 mmtp -77.21 -23.69 51.4 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.936 -176.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 11' ' ' GLN . 66.2 mt -64.58 -46.81 91.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 169.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD22 HG22 ' B' ' 36' ' ' ILE . 91.3 mt -58.63 -38.09 77.31 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.552 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.75 -49.32 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.27 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.478 ' CD ' ' HZ2' ' B' ' 25' ' ' LYS . 32.3 mt-10 -64.57 -42.68 95.5 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.997 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 94.3 t -59.8 -47.72 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 0.0 110.731 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.22 75.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.22 -41.98 96.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.061 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 18' ' ' GLU . 58.3 t -64.05 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.192 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 75.9 mt -63.96 -46.07 86.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.501 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.85 -48.45 81.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.698 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -56.89 -41.31 77.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.557 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -91.74 2.57 56.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.297 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.47 47.09 23.58 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.631 0.582 . . . . 0.0 111.089 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 125.88 26.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.82 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 m -64.36 159.98 54.31 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.511 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.52 ' O ' ' HB ' ' A' ' 33' ' ' THR . 67.0 Cg_exo -51.91 -56.72 2.67 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.965 2.444 . . . . 0.0 114.001 -176.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.88 -34.46 77.85 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.66 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' A' ' 35' ' ' MET . 48.5 tp -60.21 -40.0 88.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.148 0.499 . . . . 0.0 109.957 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 49.0 m -58.52 -47.04 85.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.808 174.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' B' ' 61' ' ' PHE . 7.1 tt -74.55 -36.98 63.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.47 -174.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 5.2 ppp? -66.22 -32.38 73.78 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 40' ' ' ILE . 27.4 mt -65.38 -41.82 92.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.428 175.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.9 81.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.972 0.415 . . . . 0.0 110.117 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.77 -44.02 96.87 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.94 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -58.34 -40.88 83.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.794 0.331 . . . . 0.0 110.521 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 44' ' ' VAL . 77.5 mt -59.33 -54.1 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.479 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.07 -39.61 82.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.914 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.9 m -57.68 -48.28 79.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -62.62 -43.95 97.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.809 0.338 . . . . 0.0 110.102 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 59.7 t -59.25 -48.94 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.718 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 96.7 mt -67.21 -19.6 65.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.91 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -99.27 -42.05 7.19 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -117.75 -13.23 10.17 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -172.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.549 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 9.2 mmm180 -119.37 13.15 12.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -171.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG23 HG21 ' A' ' 57' ' ' ILE . 5.4 p -138.74 161.89 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.558 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.72 139.71 43.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -44.4 69.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.755 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 m -64.65 -25.19 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.302 0.572 . . . . 0.0 111.206 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.86 1.33 33.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.537 -173.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HG2' HD12 ' B' ' 69' ' ' LEU . 43.8 ttm-85 -60.61 -66.85 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.087 -168.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -77.18 -22.76 51.96 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.471 -176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.78 -53.91 47.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.471 HG21 HG23 ' A' ' 49' ' ' VAL . 11.7 tt -68.39 -28.84 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.464 -176.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.08 -44.27 72.85 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.628 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.49 -42.41 87.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.645 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -57.81 -39.39 77.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.701 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.547 ' HE2' ' HE1' ' B' ' 61' ' ' PHE . 40.1 t80 -66.39 -47.64 72.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.145 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.82 -40.35 79.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.242 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.71 -44.15 96.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.062 0.458 . . . . 0.0 110.576 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.26 89.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.88 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -67.34 -30.64 70.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.121 0.486 . . . . 0.0 110.598 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -30.37 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.793 177.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 p -82.82 -18.85 39.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.787 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.7 p -93.03 -4.81 51.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.292 0.568 . . . . 0.0 110.461 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.223 177.254 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 121.465 0.65 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.5 -34.97 78.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.34 0.591 . . . . 0.0 109.614 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -62.22 -51.52 67.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.721 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.569 ' O ' HG13 ' B' ' 15' ' ' ILE . 9.6 tt0 -58.28 -48.89 79.03 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.692 0.282 . . . . 0.0 110.558 -178.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.412 HG23 HD12 ' A' ' 32' ' ' LEU . 86.5 t -59.44 -48.35 87.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.56 -47.65 69.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.944 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.65 -41.85 92.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.365 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.569 HG13 ' O ' ' B' ' 11' ' ' GLN . 70.4 mt -62.12 -48.55 87.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.717 0.294 . . . . 0.0 110.423 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.427 HD23 HG22 ' A' ' 36' ' ' ILE . 90.7 mt -56.69 -43.94 81.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -58.93 -44.34 91.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.288 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.56 -42.03 78.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.806 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.436 HG11 HG22 ' A' ' 19' ' ' VAL . 89.7 t -63.48 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.951 0.405 . . . . 0.0 110.777 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.17 94.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 81.9 mt -66.65 -28.86 68.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.6 -50.6 79.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.208 0.527 . . . . 0.0 109.939 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.475 HD13 HG23 ' B' ' 33' ' ' THR . 50.7 mt -63.27 -44.78 94.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.185 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -59.94 -45.34 92.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.937 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.478 ' HZ2' ' CD ' ' A' ' 18' ' ' GLU . 8.3 ttpm? -61.37 -36.71 80.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.617 -176.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -88.26 1.14 55.16 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.203 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.41 45.63 16.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.297 0.57 . . . . 0.0 110.507 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.89 130.37 42.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.434 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -68.38 157.91 86.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.401 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.56 -50.4 13.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.73 2.287 . . . . 0.0 112.612 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.42 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 1.7 mp0 -58.52 -46.43 86.76 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.881 0.372 . . . . 0.0 110.205 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.561 ' O ' HG12 ' B' ' 36' ' ' ILE . 44.9 tp -58.7 -44.33 90.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.685 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.475 HG23 HD13 ' B' ' 23' ' ' LEU . 46.5 m -57.07 -51.63 68.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.665 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.408 ' HB2' HG13 ' A' ' 44' ' ' VAL . 6.6 tt -69.5 -28.79 66.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 -177.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 33.7 ttp -72.01 -31.11 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.223 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.561 HG12 ' O ' ' B' ' 32' ' ' LEU . 30.1 mm -59.05 -45.66 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 172.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.52 -41.25 85.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.561 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.21 -40.03 97.63 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.283 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.16 -42.61 98.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.475 ' O ' HG23 ' B' ' 44' ' ' VAL . 70.0 mt -59.59 -54.47 34.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.423 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -56.71 -44.37 81.49 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.34 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.1 m -62.78 -42.2 99.59 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.707 0.289 . . . . 0.0 110.811 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -58.91 -41.88 88.32 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 110.221 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.486 HG11 ' HB2' ' B' ' 48' ' ' ARG . 59.4 t -64.09 -44.75 97.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.152 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 97.9 mt -66.17 -17.33 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.428 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.98 -56.54 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.469 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -114.72 -32.35 5.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -170.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.486 ' HB2' HG11 ' B' ' 44' ' ' VAL . 45.4 mtt-85 -102.74 23.51 11.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -164.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.448 HG22 HG22 ' B' ' 57' ' ' ILE . 6.0 p -147.06 150.7 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.417 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.12 145.76 47.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.208 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.27 89.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.858 0.361 . . . . 0.0 110.986 175.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 21.8 m -72.54 -14.31 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -101.84 -8.42 21.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.276 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.418 ' HE ' HG11 ' B' ' 49' ' ' VAL . 16.9 ttm180 -64.01 -52.94 57.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.409 -166.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -76.76 -29.33 56.07 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.143 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 67.4 mt -64.35 -49.58 71.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.045 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.448 HG22 HG22 ' B' ' 49' ' ' VAL . 10.2 tt -69.17 -28.23 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.264 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.42 74.94 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.222 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.66 -47.25 73.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.806 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 57.7 mtpt -51.86 -48.21 64.11 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.289 174.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.547 ' HE1' ' HE2' ' A' ' 61' ' ' PHE . 60.9 t80 -54.03 -58.22 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.779 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.08 -46.97 82.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.944 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.86 -45.02 75.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.471 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.89 85.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.227 0.537 . . . . 0.0 110.416 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.8 -48.87 79.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.851 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.44 ' HA ' ' HB2' ' B' ' 69' ' ' LEU . 65.1 mtt -83.76 -11.6 56.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.62 -175.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -81.1 -26.68 36.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 172.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.2 m -98.47 9.18 43.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.166 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.574 HD12 ' HG2' ' A' ' 54' ' ' ARG . 33.8 tp . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.462 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 . . . . . 0 C--O 1.234 0.263 0 CA-C-O 122.016 0.912 . . . . 0.0 113.037 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.532 ' HB ' ' CB ' ' A' ' 11' ' ' GLN . 24.7 m -77.38 116.99 18.43 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.748 -1.114 . . . . 0.0 108.988 173.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -68.27 -33.39 74.26 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.236 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.6 mp0 -65.01 -42.92 93.99 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 174.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.532 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 6.0 tp60 -57.02 -50.2 73.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.373 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.83 -43.11 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.596 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.79 -43.57 97.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 64.4 mmtt -67.43 -36.58 81.52 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 11' ' ' GLN . 89.1 mt -62.86 -52.98 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.044 175.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.95 -40.61 80.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.84 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.48 -50.04 75.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.392 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.534 ' O ' HG21 ' A' ' 22' ' ' VAL . 45.3 mt-10 -62.59 -44.1 97.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.701 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.49 -46.59 95.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.87 0.367 . . . . 0.0 110.779 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.61 80.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.678 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.23 -35.67 80.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.577 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.534 HG21 ' O ' ' A' ' 18' ' ' GLU . 89.9 t -61.62 -41.11 89.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.302 0.573 . . . . 0.0 109.575 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.425 HD13 HG23 ' A' ' 33' ' ' THR . 71.2 mt -66.35 -43.88 84.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.263 178.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.87 -47.51 83.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.974 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -52.15 -41.8 62.85 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.092 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.49 8.73 44.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -175.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.61 42.53 26.96 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.128 0.49 . . . . 0.0 111.331 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' HD21 ' A' ' 32' ' ' LEU . . . -68.95 115.51 8.34 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.679 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 m -63.4 157.89 61.42 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.465 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.539 ' HG3' ' HD3' ' B' ' 48' ' ' ARG . 73.3 Cg_exo -49.23 -43.52 36.93 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.09 2.526 . . . . 0.0 112.299 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.05 -53.04 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.403 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' HG12 ' A' ' 36' ' ' ILE . 50.2 tp -63.41 -33.25 75.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.769 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.437 ' CG2' HG22 ' B' ' 44' ' ' VAL . 62.7 m -61.86 -47.32 85.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -29.16 65.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.183 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.7 ttm -60.26 -42.24 94.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.885 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 32' ' ' LEU . 40.2 mm -58.74 -49.48 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.919 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.16 84.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.123 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.9 -43.05 95.01 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.548 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -62.05 -43.2 99.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.579 0.228 . . . . 0.0 110.745 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.484 ' O ' HG22 ' A' ' 44' ' ' VAL . 86.3 mt -58.35 -56.22 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.497 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.58 -45.17 81.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.216 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -60.9 -44.97 96.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.261 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.89 -35.42 79.97 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.626 0.251 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 40' ' ' ILE . 90.1 t -65.15 -45.39 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 174.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.526 HD11 HD12 ' B' ' 69' ' ' LEU . 86.9 mt -62.87 -25.94 68.53 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.435 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.87 -55.81 3.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.957 0.408 . . . . 0.0 111.561 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -93.63 -59.44 2.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -169.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -87.61 -28.41 21.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -162.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG21 HG23 ' A' ' 57' ' ' ILE . 3.8 p -79.27 159.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.046 0.45 . . . . 0.0 111.509 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.66 135.92 50.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.741 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.557 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -51.69 -43.77 62.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.0 t -87.67 3.27 48.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.548 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 8.5 tp-100 -108.16 -12.04 15.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.468 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.557 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 51.1 mtt-85 -50.45 -54.54 21.25 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.911 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HE3' ' SD ' ' B' ' 66' ' ' MET . 22.1 tptm -71.94 -44.3 63.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.593 0.235 . . . . 0.0 110.866 -176.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.419 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 33.9 mt -59.85 -47.18 86.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.629 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.548 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 14.6 tt -71.57 -30.19 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.696 -175.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.14 77.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.011 0.434 . . . . 0.0 110.1 174.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -44.23 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.466 174.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 56' ' ' LEU . 2.5 mtmm -68.36 -35.95 78.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.133 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -58.7 -50.07 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.364 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.55 -42.28 96.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.93 -51.58 66.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.444 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.47 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.571 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 26.1 tp -63.58 -48.41 77.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.238 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.468 ' HA ' HD12 ' A' ' 69' ' ' LEU . 24.2 mmt -65.3 -40.66 94.1 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.064 0.459 . . . . 0.0 110.416 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.1 m -69.08 -17.25 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.811 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.0 m -102.18 2.3 37.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.079 0.466 . . . . 0.0 110.55 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 23.5 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.775 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -49.63 -49.06 48.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.54 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 6.2 tt0 -60.33 -47.03 87.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -57.42 -48.36 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.962 0.41 . . . . 0.0 110.669 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.06 -41.27 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.538 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.43 -43.77 88.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 33.3 mmtp -56.75 -47.52 79.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.242 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.419 ' O ' HG21 ' B' ' 19' ' ' VAL . 65.7 mt -66.73 -51.0 60.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.92 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.4 mt -58.27 -39.82 80.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.076 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.39 82.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.01 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.473 ' O ' HG22 ' B' ' 22' ' ' VAL . 48.0 mt-10 -66.0 -41.59 90.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.089 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.419 HG21 ' O ' ' B' ' 15' ' ' ILE . 72.5 t -60.72 -47.77 91.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.734 0.302 . . . . 0.0 110.869 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.63 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.76 -39.85 95.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.281 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.473 HG22 ' O ' ' B' ' 18' ' ' GLU . 86.4 t -63.28 -44.54 99.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.957 0.408 . . . . 0.0 110.068 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.467 HD12 HG21 ' B' ' 33' ' ' THR . 68.0 mt -62.79 -46.0 90.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.732 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.82 -40.14 91.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -66.33 -20.8 66.19 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.249 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -107.89 7.88 28.3 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.004 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.61 42.24 17.56 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.53 0.519 . . . . 0.0 111.437 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.524 ' HA ' HD22 ' B' ' 32' ' ' LEU . . . -68.31 120.75 14.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.525 -178.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.464 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 50.7 m -77.6 165.87 48.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.035 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 88.7 Cg_exo -48.0 -48.0 17.56 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.329 2.686 . . . . 0.0 114.056 -177.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.447 ' OE1' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -67.32 -43.67 81.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.465 -177.286 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' B' ' 28' ' ' ALA . 64.6 tp -61.23 -39.5 90.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.793 0.33 . . . . 0.0 110.471 175.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.467 HG21 HD12 ' B' ' 23' ' ' LEU . 95.1 m -56.54 -51.55 68.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.932 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.81 -31.36 66.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.2 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 31.6 ttp -66.26 -36.19 82.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.4 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.463 ' O ' HG13 ' B' ' 40' ' ' ILE . 20.4 mm -59.06 -48.01 88.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 173.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.84 76.48 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.114 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.08 78.18 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.352 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.56 -38.48 84.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.645 0.259 . . . . 0.0 110.755 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 36' ' ' ILE . 84.4 mt -57.8 -57.32 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.401 177.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.94 -44.99 87.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.148 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -55.49 -56.16 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 111.291 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.8 -34.55 78.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.899 -175.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.437 HG22 ' CG2' ' A' ' 33' ' ' THR . 93.4 t -71.26 -41.05 74.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.936 0.398 . . . . 0.0 110.874 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 96.2 mt -68.65 -26.39 65.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.766 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.65 -46.1 14.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.474 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -123.69 27.92 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -166.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.539 ' HD3' ' HG3' ' A' ' 30' ' ' PRO . 57.4 mtt180 -145.34 -48.33 0.23 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 176.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.479 HG23 HG21 ' B' ' 57' ' ' ILE . 7.2 p -77.96 154.15 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.314 -173.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.96 11.27 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.464 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.1 78.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.396 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 26.6 t -78.9 -18.29 54.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.609 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.43 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 8.5 tp-100 -88.2 -18.12 29.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.175 0.512 . . . . 0.0 109.952 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -53.82 -63.97 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.032 -0.986 . . . . 0.0 112.56 -168.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' B' ' 55' ' ' LYS . 11.2 mtpp -71.03 -33.71 70.58 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.729 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -63.77 -52.43 60.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.631 0.253 . . . . 0.0 110.99 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.479 HG21 HG23 ' B' ' 49' ' ' VAL . 13.0 tt -66.92 -29.09 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.196 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.24 82.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.03 -30.35 44.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.023 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -58.27 -46.78 85.39 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 0.0 110.094 169.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -57.54 -44.55 85.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.936 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -61.35 -43.51 98.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -41.55 98.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.029 0.442 . . . . 0.0 109.966 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.09 90.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.448 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.31 -33.34 73.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.682 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.657 ' HA ' ' HE1' ' B' ' 66' ' ' MET . 21.2 mmt -69.64 -29.18 66.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.212 0.53 . . . . 0.0 109.909 176.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -84.66 -32.67 23.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.419 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 53.1 p -76.1 -24.74 55.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.135 0.493 . . . . 0.0 110.196 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.526 HD12 HD11 ' A' ' 45' ' ' LEU . 57.5 tp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.53 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.943 0.402 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -71.65 98.43 1.91 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -58.69 -23.42 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.056 -172.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.462 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 6.8 tp10 -61.86 -55.08 33.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.221 0.534 . . . . 0.0 109.773 174.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.1 tp-100 -59.49 -46.55 88.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.556 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.2 t -59.88 -46.1 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.166 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.98 -46.61 84.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.849 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 12.9 mptt -63.31 -40.35 97.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.007 -177.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 19' ' ' VAL . 74.6 mt -64.11 -51.95 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.596 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.15 -41.64 93.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.11 93.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.343 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' O ' HG21 ' A' ' 22' ' ' VAL . 40.0 mt-10 -69.95 -39.35 76.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.6 t -61.85 -46.84 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.796 0.332 . . . . 0.0 110.366 177.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.56 84.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.94 -42.96 99.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.164 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 18' ' ' GLU . 77.6 t -61.36 -40.97 88.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.325 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 79.0 mt -58.72 -50.22 74.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.246 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -66.29 -42.59 88.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -62.05 -33.14 73.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.55 -176.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -103.28 11.13 37.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.366 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.63 37.36 27.42 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.438 0.461 . . . . 0.0 111.819 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.14 119.3 12.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.414 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -62.28 149.69 86.63 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.265 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.72 -42.29 51.06 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.119 2.546 . . . . 0.0 112.749 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.79 -46.58 88.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.197 0.522 . . . . 0.0 110.303 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 HD11 ' HE2' ' A' ' 35' ' ' MET . 66.9 tp -60.14 -39.0 84.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.281 177.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.3 m -56.34 -49.8 73.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.369 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tt -73.41 -33.11 64.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.523 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.458 ' HE2' HD11 ' A' ' 32' ' ' LEU . 13.9 tmm? -66.32 -33.9 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.089 0.471 . . . . 0.0 109.919 177.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.5 mt -63.72 -42.76 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 174.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.55 71.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.0 -45.63 95.23 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.156 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -59.82 -41.71 91.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.699 0.285 . . . . 0.0 110.462 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.489 ' O ' HG22 ' A' ' 44' ' ' VAL . 78.7 mt -58.08 -58.72 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.393 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.45 -46.67 80.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.323 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.511 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 59.9 m -58.62 -47.35 84.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.535 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -70.22 -37.74 75.09 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.737 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 87.7 t -61.21 -48.19 90.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.534 HD13 HD13 ' B' ' 69' ' ' LEU . 97.8 mt -64.08 -22.57 66.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 111.162 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 42' ' ' THR . 8.9 t-20 -89.43 -56.88 3.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.78 -173.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -123.04 1.83 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -170.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.774 ' HE ' ' HA ' ' A' ' 48' ' ' ARG . 1.2 mmp_? -129.9 22.43 5.37 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.91 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.618 HG22 ' H ' ' A' ' 50' ' ' ALA . 2.9 p -144.28 175.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.618 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.87 141.58 29.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.29 -48.65 76.19 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.8 m -71.21 -13.53 61.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.237 0.542 . . . . 0.0 111.155 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.533 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 9.2 tp60 -106.08 -5.48 19.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.804 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HG2' HD12 ' B' ' 69' ' ' LEU . 42.6 ttm180 -68.06 -60.82 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.173 -167.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 59.1 tttm -67.99 -31.57 71.37 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.179 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tt -66.28 -42.76 87.98 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.721 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -71.02 -28.61 33.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.599 177.785 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.35 -44.57 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 173.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 68.7 mm-40 -56.83 -42.97 80.56 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.87 174.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.721 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 50.7 mtpt -53.36 -56.15 19.07 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.654 177.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.509 ' HB2' HD23 ' B' ' 34' ' ' LEU . 89.4 t80 -56.95 -51.55 68.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.062 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.38 75.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.861 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.464 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 14.5 mm-40 -68.68 -36.56 78.66 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.084 -177.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.86 87.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.103 0.478 . . . . 0.0 110.07 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.44 -46.14 84.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.567 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.4 tpp -69.7 -33.37 72.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.287 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 p -77.79 -20.01 54.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 0.0 110.705 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.2 m -91.62 -8.1 48.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.229 0.538 . . . . 0.0 110.205 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 HD11 ' B' ' 45' ' ' LEU . 42.3 tp . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.454 HG23 ' HB3' ' B' ' 11' ' ' GLN . 2.3 t . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 121.302 0.572 . . . . 0.0 109.774 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.02 -16.19 58.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.127 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 25.5 mt-10 -62.96 -50.04 72.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.814 175.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.454 ' HB3' HG23 ' B' ' 8' ' ' THR . 35.5 tt0 -69.81 -41.99 74.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.414 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.455 HG21 HD12 ' A' ' 32' ' ' LEU . 64.8 t -54.73 -46.46 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.261 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.33 -44.76 84.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.834 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 44.6 mmtm -62.81 -46.61 87.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.613 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.29 -37.86 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.493 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.35 -40.91 96.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.469 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.02 82.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.867 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 5.6 mm-40 -60.16 -54.26 47.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 109.922 175.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.448 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 59.6 t -63.77 -42.89 97.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.99 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.1 77.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.38 -43.33 86.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.017 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.444 HG22 ' O ' ' B' ' 18' ' ' GLU . 93.1 t -60.39 -47.25 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.445 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 56.4 mt -64.39 -40.57 96.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.65 -42.13 82.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 0.0 110.495 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.32 -37.35 87.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -87.01 2.06 50.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.009 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.28 46.18 21.64 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.574 0.546 . . . . 0.0 111.764 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.505 ' HA ' HD21 ' B' ' 32' ' ' LEU . . . -66.52 131.07 45.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.202 0.525 . . . . 0.0 111.563 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 13.9 m -85.1 158.09 58.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.591 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 2.6 Cg_endo -46.42 -51.17 9.19 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.557 2.838 . . . . 0.0 113.549 -177.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.443 ' CD ' ' HZ3' ' A' ' 60' ' ' LYS . 45.8 tp10 -56.46 -47.27 79.52 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.037 0.446 . . . . 0.0 110.316 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' B' ' 28' ' ' ALA . 54.9 tp -63.23 -46.58 86.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.752 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 57.3 m -56.32 -49.72 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 0.0 111.413 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' A' ' 61' ' ' PHE . 7.5 tt -68.74 -33.1 73.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.213 -177.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 53.8 ttp -67.51 -31.43 71.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.276 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.474 HG12 ' O ' ' B' ' 32' ' ' LEU . 24.3 mm -60.64 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.08 78.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.19 94.81 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.011 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -62.35 -39.65 93.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.586 0.231 . . . . 0.0 110.411 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.515 ' O ' HG23 ' B' ' 44' ' ' VAL . 86.5 mt -57.54 -57.91 8.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.39 -47.0 82.83 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 123.372 0.42 . . . . 0.0 111.325 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 26.3 m -60.57 -47.26 86.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.978 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -66.88 -33.63 76.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.613 0.244 . . . . 0.0 110.806 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 40' ' ' ILE . 94.4 t -64.9 -45.48 94.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.516 HD11 HD12 ' A' ' 69' ' ' LEU . 97.1 mt -63.91 -19.57 65.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.865 178.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -87.91 -66.77 0.88 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.355 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -113.43 6.55 17.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.963 1.098 . . . . 0.0 113.963 -163.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -127.25 -30.78 2.62 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' B' ' 53' ' ' GLN . 6.1 p -89.05 157.9 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.73 0.3 . . . . 0.0 110.97 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.07 152.4 38.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.78 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.53 -52.56 61.64 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -62.37 -34.89 77.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.275 0.559 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.531 ' HB3' HG21 ' B' ' 49' ' ' VAL . 12.7 tp60 -76.58 -25.74 54.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.837 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -48.81 -58.69 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.814 0.696 . . . . 0.0 112.443 -172.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -68.59 -39.49 80.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.8 -50.04 59.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.378 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.464 HG21 HG22 ' B' ' 49' ' ' VAL . 14.5 tt -67.23 -35.19 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.787 -174.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.18 86.65 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.076 0.465 . . . . 0.0 110.827 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.76 -43.51 62.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.294 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -57.56 -45.59 84.97 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.152 175.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -60.16 -49.38 77.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -60.86 -43.42 98.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.95 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.62 -40.73 84.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.529 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.73 -38.31 89.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.368 . . . . 0.0 110.411 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.31 -45.08 85.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.66 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 26.4 mmt -68.13 -30.47 69.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 111.036 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -72.24 -36.27 69.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.993 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -88.13 3.58 48.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.803 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.534 HD13 HD13 ' A' ' 45' ' ' LEU . 58.1 tp . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.251 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.8 112.58 8.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.759 175.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.92 -44.16 78.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.705 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.652 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 25.0 mm-40 -61.98 -45.83 91.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.435 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.572 ' O ' HG13 ' A' ' 15' ' ' ILE . 10.3 tt0 -63.61 -44.61 93.45 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.922 -175.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.37 -44.45 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.77 -39.99 95.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.438 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 73.3 mmtt -68.09 -41.61 81.59 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.872 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 11' ' ' GLN . 67.2 mt -60.89 -46.44 96.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.68 -39.18 83.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.43 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.25 -44.93 93.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.084 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.29 -45.25 94.08 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.765 0.317 . . . . 0.0 110.696 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 87.9 t -62.46 -48.65 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.76 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.02 -45.58 91.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.269 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.51 -42.17 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.123 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD12 HG23 ' A' ' 33' ' ' THR . 73.1 mt -65.94 -42.21 90.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.538 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.2 -50.81 70.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.757 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -67.61 -29.49 68.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.35 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -82.68 -3.93 57.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.032 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.42 45.85 26.24 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.599 0.562 . . . . 0.0 110.329 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.45 117.63 8.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.992 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 m -58.1 152.96 37.66 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.607 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -52.14 -47.54 26.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.763 2.309 . . . . 0.0 112.857 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -57.43 -46.54 83.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.009 0.433 . . . . 0.0 110.074 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 tp -63.97 -51.46 64.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.746 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.469 HG23 HD12 ' A' ' 23' ' ' LEU . 40.3 m -54.21 -49.29 69.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.563 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD23 ' HB2' ' B' ' 61' ' ' PHE . 6.9 tt -72.92 -31.1 64.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.821 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -66.87 -35.83 80.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.7 mt -60.72 -42.07 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.307 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.92 89.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.071 0.463 . . . . 0.0 110.381 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.04 -39.14 93.0 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.186 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.62 -43.98 89.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 44' ' ' VAL . 81.8 mt -58.81 -57.0 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.391 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.64 74.54 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.351 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.5 m -54.91 -55.62 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.99 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -62.69 -40.73 98.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.62 0.248 . . . . 0.0 111.103 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 40' ' ' ILE . 97.6 t -65.78 -42.17 91.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 96.5 mt -66.38 -45.25 80.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.074 0.464 . . . . 0.0 110.642 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -68.78 -45.99 69.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.402 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -128.52 32.61 4.81 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -151.97 -48.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.065 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG22 HG23 ' A' ' 57' ' ' ILE . 2.6 p -81.11 152.85 4.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.435 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.49 139.57 58.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.47 76.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.918 0.39 . . . . 0.0 110.806 177.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 t -66.85 -23.76 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.348 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 5.6 tp-100 -97.1 -21.58 17.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.448 -178.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -52.21 -50.19 62.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.892 -167.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 6.8 tmtt? -71.63 -40.95 69.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.873 0.368 . . . . 0.0 110.357 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.34 -43.5 77.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.482 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.476 HG23 HG22 ' A' ' 49' ' ' VAL . 17.2 tt -71.2 -25.76 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.356 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.0 80.83 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.084 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 30.1 mm-40 -61.53 -43.72 98.34 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.927 174.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -58.11 -43.67 87.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.506 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.697 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 79.7 t80 -59.83 -54.17 49.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.588 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.09 -43.81 91.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.045 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.806 HE21 ' HA ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -61.54 -41.74 97.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.26 88.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.738 0.304 . . . . 0.0 110.417 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mp -58.35 -48.31 80.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.065 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.7 mmt -69.94 -34.02 72.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.758 -175.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.7 p -77.45 -26.52 51.57 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.382 -0.199 . . . . 0.0 111.452 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.0 p -105.39 10.98 33.22 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.063 0.459 . . . . 0.0 111.035 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' B' ' 54' ' ' ARG . 49.1 tp . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.751 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.44 -37.9 70.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.192 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 37.4 tt0 -54.47 -57.62 10.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.47 178.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -61.42 -39.75 91.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.089 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.0 t -55.48 -50.04 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.96 -45.99 86.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.191 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 64.5 mmtt -66.7 -35.69 80.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.186 -174.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.403 ' O ' HG21 ' B' ' 19' ' ' VAL . 69.8 mt -69.48 -44.37 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 176.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.5 -38.03 71.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.481 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -63.77 -46.11 86.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.038 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 16.1 mm-40 -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.723 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.423 HG22 HG12 ' A' ' 19' ' ' VAL . 98.0 t -63.23 -42.74 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.248 177.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.2 74.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.74 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 50.0 mt -65.79 -34.8 78.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.052 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.533 HG13 HG22 ' A' ' 15' ' ' ILE . 45.7 t -66.97 -42.84 89.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.59 -44.0 95.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.17 176.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.81 -43.2 98.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.91 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -63.04 -43.33 98.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.17 -177.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -87.77 -4.41 58.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.567 -178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.02 47.69 14.4 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.323 0.583 . . . . 0.0 110.452 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.438 ' HA ' HD21 ' B' ' 32' ' ' LEU . . . -63.41 130.88 46.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.342 -0.845 . . . . 0.0 112.334 -176.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -69.49 155.63 93.17 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.985 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.15 -49.52 16.02 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.08 2.52 . . . . 0.0 113.358 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.36 -36.43 82.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.833 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.438 HD21 ' HA ' ' B' ' 28' ' ' ALA . 69.2 tp -62.77 -44.07 97.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 61.7 m -57.1 -51.06 70.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.281 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.83 -36.79 75.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.821 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.4 ttp -66.62 -32.58 74.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.99 0.424 . . . . 0.0 110.255 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 mt -63.16 -44.31 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.75 79.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.055 0.455 . . . . 0.0 110.524 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.79 -45.08 96.95 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.895 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -60.86 -39.15 88.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.36 0.124 . . . . 0.0 110.962 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.519 ' O ' HG21 ' B' ' 44' ' ' VAL . 76.4 mt -58.19 -57.79 9.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -55.48 -45.9 76.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.349 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 38.3 m -60.85 -43.1 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.288 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -60.78 -43.26 98.32 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.519 HG21 ' O ' ' B' ' 40' ' ' ILE . 58.5 t -62.55 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.614 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.5 mt -66.19 -22.7 66.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.908 -177.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -99.51 -40.59 7.77 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.944 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -105.37 -39.21 6.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -106.0 22.88 14.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -165.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 p -145.26 163.44 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.599 0.237 . . . . 0.0 110.531 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.9 147.88 42.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.019 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . 0.531 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . . . -59.69 -39.44 84.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.008 -176.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -79.69 -18.1 52.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.117 0.484 . . . . 0.0 110.688 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.449 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 8.0 tp-100 -85.86 -22.09 27.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.528 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.531 ' NE ' ' HA ' ' B' ' 51' ' ' ALA . 65.4 mtt-85 -46.22 -58.38 3.72 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.605 0.566 . . . . 0.0 112.38 -171.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -71.28 -40.01 71.17 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.359 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.24 -51.51 69.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.449 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.0 tt -72.19 -20.94 20.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.735 -176.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -48.51 44.89 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.741 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -79.84 -25.34 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.691 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -58.26 -46.93 85.11 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 168.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.697 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 35.9 t80 -61.98 -51.1 69.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.005 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -57.64 -41.0 80.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.668 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -63.77 -44.93 91.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.53 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.13 95.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.756 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.32 -45.52 93.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.462 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.5 mmt -68.15 -31.87 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.047 0.451 . . . . 0.0 110.584 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 25.8 t -68.09 -32.06 72.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.774 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.7 t -104.33 13.19 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.436 -178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.851 -179.231 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 C--O 1.238 0.469 0 CA-C-O 121.033 0.444 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 25.1 m -62.93 114.98 3.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 173.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -35.48 80.95 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -174.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -67.22 -37.22 83.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.651 175.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.562 ' O ' HG13 ' A' ' 15' ' ' ILE . 33.6 tt0 -54.22 -55.54 27.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG23 HD13 ' B' ' 32' ' ' LEU . 42.5 t -58.0 -49.76 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.061 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -55.37 -45.07 76.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.345 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -31.54 60.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.274 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.58 HG22 HG12 ' B' ' 22' ' ' VAL . 76.2 mt -64.29 -46.88 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 174.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.87 -36.74 72.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.812 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.92 92.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.49 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.4 mm-40 -70.01 -43.22 71.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.433 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 15' ' ' ILE . 91.2 t -58.35 -45.87 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.706 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.75 98.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.641 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.4 tt -60.95 -37.05 81.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.377 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.515 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 77.4 t -63.2 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.091 0.472 . . . . 0.0 110.714 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.1 mt -69.1 -39.8 78.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.699 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -34.68 78.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.589 0.233 . . . . 0.0 111.075 175.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 52.4 mtpt -60.58 -19.73 58.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.288 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -121.17 6.73 10.24 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.438 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.26 46.83 25.95 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.13 0.49 . . . . 0.0 110.956 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 137.02 58.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.967 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.8 p -82.52 163.19 53.19 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.604 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.77 -39.51 89.25 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.386 2.057 . . . . 0.0 111.653 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.89 -51.03 66.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.57 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' ' 36' ' ' ILE . 54.6 tp -61.83 -40.82 96.64 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.632 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.3 m -57.11 -46.38 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.39 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.5 -30.4 64.48 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.463 ' HE2' HG12 ' B' ' 12' ' ' VAL . 55.5 ttp -68.2 -34.93 77.17 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.935 176.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' HG13 ' A' ' 40' ' ' ILE . 41.4 mm -56.91 -50.07 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.55 96.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.021 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -45.23 96.3 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.953 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -66.53 -34.44 77.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.57 0.185 . . . . 0.0 110.638 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 36' ' ' ILE . 67.6 mt -58.31 -54.68 29.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 173.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.32 -44.0 88.43 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.98 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.3 m -61.17 -45.19 95.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.886 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -58.88 -42.25 89.03 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.974 0.416 . . . . 0.0 110.238 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.7 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 69.9 t -62.21 -49.64 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.987 175.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 97.5 mt -60.54 -19.69 57.97 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.708 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.5 -59.41 2.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.777 0.323 . . . . 0.0 111.377 178.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -114.32 -31.72 6.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -169.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.7 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 41.7 mtt180 -96.95 15.83 21.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -168.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 53' ' ' GLN . 4.0 p -138.75 161.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.85 146.71 37.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -56.16 -42.0 76.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.946 0.403 . . . . 0.0 111.491 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.5 m -77.41 -2.69 36.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.443 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.852 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -107.12 -18.4 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.322 -0.236 . . . . 0.0 111.532 -176.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 66.3 mtt-85 -47.65 -63.21 1.12 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -171.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' B' ' 69' ' ' LEU . 8.8 tmtm? -69.14 -35.43 76.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.839 -174.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 56' ' ' LEU . 40.5 mt -67.51 -47.63 69.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.581 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.543 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 16.2 tt -68.1 -27.26 36.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.02 -178.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.49 83.0 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.76 174.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 57.3 mm-40 -64.2 -46.98 81.53 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.195 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 28.0 mtpp -53.97 -46.4 71.65 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.416 176.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.601 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 82.6 t80 -59.11 -50.98 71.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.044 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.45 -44.12 96.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.322 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -60.99 -40.64 94.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.052 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.15 -36.3 81.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.979 0.419 . . . . 0.0 110.682 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.8 tp -69.98 -40.75 75.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.701 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 23.6 mmt -70.56 -31.44 68.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.713 0.292 . . . . 0.0 111.533 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 p -79.06 -23.77 44.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.919 0.39 . . . . 0.0 110.84 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 m -91.39 -1.26 57.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.283 0.563 . . . . 0.0 110.172 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.663 HD13 ' HB3' ' B' ' 54' ' ' ARG . 59.7 tp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.275 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.507 ' HB ' ' CB ' ' B' ' 11' ' ' GLN . 10.8 m . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.31 -47.5 83.52 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.872 0.367 . . . . 0.0 111.056 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 2.6 tt0 -57.59 -41.33 80.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.511 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.508 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.8 tt0 -63.11 -37.66 88.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.13 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.463 HG12 ' HE2' ' A' ' 35' ' ' MET . 98.9 t -57.96 -45.79 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.97 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.14 -35.53 81.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.423 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 34.3 mmtp -64.55 -43.8 92.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.621 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.508 HG13 ' O ' ' B' ' 11' ' ' GLN . 76.2 mt -60.72 -46.21 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.498 HD22 HG23 ' A' ' 36' ' ' ILE . 89.8 mt -57.26 -43.6 83.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.574 177.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.48 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -61.21 -46.35 90.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.85 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.507 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.3 mt-10 -59.2 -46.53 88.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.617 178.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.453 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 98.7 t -62.05 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.761 178.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.07 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 50.2 mt -69.92 -32.44 70.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.972 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.58 HG12 HG22 ' A' ' 15' ' ' ILE . 85.6 t -64.41 -40.53 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.354 0.597 . . . . 0.0 109.497 174.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 67.2 mt -62.36 -52.17 64.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.124 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.89 -34.54 76.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.944 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -58.86 -32.83 69.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.419 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -106.6 8.72 31.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.706 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.5 35.08 17.69 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.305 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' B' ' 23' ' ' LEU . . . -61.18 129.73 42.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.398 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.6 p -72.66 164.61 58.89 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.407 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.89 -35.65 89.61 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.325 2.017 . . . . 0.0 111.505 173.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.94 -52.84 63.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.464 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.506 ' HA ' ' HE2' ' B' ' 35' ' ' MET . 49.5 tp -65.21 -34.82 79.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.374 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 94.4 m -55.13 -54.64 40.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.972 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tt -73.19 -31.68 64.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.444 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.506 ' HE2' ' HA ' ' B' ' 32' ' ' LEU . 24.8 ttm -57.95 -44.66 87.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.421 0.629 . . . . 0.0 110.016 176.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.495 ' O ' HG13 ' B' ' 40' ' ' ILE . 50.2 mt -66.76 -37.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.196 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.06 -41.58 83.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.058 0.456 . . . . 0.0 110.558 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.81 -41.29 97.61 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.04 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -58.79 -40.4 83.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.653 0.263 . . . . 0.0 110.547 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 36' ' ' ILE . 76.7 mt -60.07 -57.56 11.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.574 178.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.518 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -54.96 -43.8 73.8 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 123.168 0.293 . . . . 0.0 111.351 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.1 m -65.32 -44.78 86.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.331 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.77 -32.84 74.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 110.443 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.464 HG22 ' O ' ' B' ' 40' ' ' ILE . 80.8 t -63.73 -44.28 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 96.8 mt -61.6 -34.02 74.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.712 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -73.65 -50.42 21.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.26 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -110.48 -67.11 1.01 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -172.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.03 49.2 1.48 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -168.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -163.38 164.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.612 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.56 146.66 23.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.259 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.13 -39.38 72.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 111.39 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.1 t -67.2 -19.9 65.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.946 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -97.42 -18.94 18.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.912 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.663 ' HB3' HD13 ' A' ' 69' ' ' LEU . 95.2 mtt180 -51.39 -58.31 6.58 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.553 ' HE2' ' HB2' ' B' ' 59' ' ' GLU . 10.2 tptm -62.89 -45.06 94.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.956 -178.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.79 -50.23 71.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.746 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 16.5 tt -70.36 -30.88 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.361 -172.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.91 -41.36 59.87 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.049 0.452 . . . . 0.0 110.439 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . 0.553 ' HB2' ' HE2' ' B' ' 55' ' ' LYS . 38.8 tt0 -66.8 -41.87 86.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.105 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -66.91 -29.79 69.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.327 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.601 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 86.9 t80 -67.8 -49.1 64.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.191 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -58.7 -40.69 84.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.726 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.14 -48.63 80.9 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.577 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.97 81.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.001 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 29.0 tp -66.75 -34.3 77.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.358 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.2 mmt -73.68 -24.51 59.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.079 0.466 . . . . 0.0 110.007 176.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.2 t -73.57 -36.53 65.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.303 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.7 p -91.24 -7.28 51.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.115 0.483 . . . . 0.0 111.062 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 55' ' ' LYS . 7.0 tt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.183 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.567 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 65.3 m-85 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.607 ' HB ' ' HG2' ' A' ' 11' ' ' GLN . 58.9 m -67.84 123.36 20.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 173.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.41 -38.67 74.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.445 -175.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.5 mm-40 -52.3 -47.14 66.11 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 176.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.607 ' HG2' ' HB ' ' A' ' 8' ' ' THR . 11.8 mm100 -55.95 -50.71 70.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.458 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 HG22 HD11 ' B' ' 32' ' ' LEU . 45.0 t -61.65 -50.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.934 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.64 -43.29 93.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.631 -174.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 67.9 mmtt -75.35 -38.5 60.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.149 -174.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.437 ' O ' HG21 ' A' ' 19' ' ' VAL . 76.3 mt -63.53 -49.78 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.401 HD23 HG22 ' B' ' 36' ' ' ILE . 80.9 mt -56.03 -40.98 74.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.806 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.88 52.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.162 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.546 ' O ' HG21 ' A' ' 22' ' ' VAL . 28.1 mt-10 -65.08 -40.56 94.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.32 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.573 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 71.3 t -60.99 -50.31 81.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.584 0.23 . . . . 0.0 110.792 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.494 ' HA ' HD13 ' A' ' 23' ' ' LEU . . . -62.52 -36.28 82.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.64 -43.19 97.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 177.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 18' ' ' GLU . 84.7 t -61.57 -39.17 82.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.658 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 45.7 mt -59.47 -51.86 68.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.179 176.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.84 -26.62 65.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.216 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.27 -38.9 92.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.762 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -99.69 7.86 44.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.91 43.02 22.09 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.492 0.495 . . . . 0.0 111.297 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.466 ' HA ' HD21 ' A' ' 32' ' ' LEU . . . -65.1 132.29 48.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.605 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 m -75.05 163.88 65.11 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.089 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -50.08 14.39 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.66 2.24 . . . . 0.0 112.76 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -59.65 -41.93 91.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.772 0.32 . . . . 0.0 110.585 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 28' ' ' ALA . 39.8 tp -62.0 -49.29 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.223 177.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.45 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 54.0 m -57.27 -50.85 71.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.771 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tt -68.85 -33.81 74.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.026 -175.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.402 ' HE2' HD11 ' A' ' 32' ' ' LEU . 14.6 tmm? -63.7 -35.58 81.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.638 ' O ' HG12 ' A' ' 40' ' ' ILE . 67.4 mt -60.52 -46.57 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.4 175.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.38 92.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.024 0.44 . . . . 0.0 110.844 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.8 95.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.822 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -61.14 -41.48 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 176.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 36' ' ' ILE . 48.6 mm -57.18 -62.03 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.065 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.6 75.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.707 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.3 m -57.03 -49.08 76.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.954 0.406 . . . . 0.0 110.606 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -68.48 -40.23 81.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.302 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 40' ' ' ILE . 85.5 t -60.01 -47.4 91.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.725 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.977 HD13 HD11 ' B' ' 69' ' ' LEU . 88.0 mt -63.64 -40.59 97.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.49 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -79.36 -16.08 56.85 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -124.41 -63.55 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -175.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -104.94 62.96 0.7 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 -169.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 2.9 p -168.84 150.54 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 172.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.19 135.64 53.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.985 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.96 80.68 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.216 0.323 . . . . 0.0 111.754 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.3 m -68.86 -39.42 79.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.156 0.503 . . . . 0.0 110.247 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -78.27 -23.31 47.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.234 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -53.34 -48.61 68.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.748 -1.114 . . . . 0.0 112.923 -170.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.929 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -70.07 -45.28 67.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.858 0.361 . . . . 0.0 110.485 -176.713 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -65.96 -45.07 83.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.246 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.7 tt -67.43 -26.16 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.373 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HB1' ' HE1' ' B' ' 66' ' ' MET . . . -74.37 -44.03 53.96 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.853 175.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -44.99 96.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.161 0.505 . . . . 0.0 110.365 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -64.85 -35.26 80.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.603 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.411 ' HE1' ' CA ' ' B' ' 38' ' ' GLY . 66.0 t80 -59.91 -52.06 67.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.402 175.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.27 96.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.737 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.41 HE21 ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -59.73 -47.74 84.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.175 178.727 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.41 ' N ' HE21 ' A' ' 63' ' ' GLN . . . -64.62 -39.66 94.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.911 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 tp -66.0 -47.16 75.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.0 tpp -71.23 -31.8 68.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.1 -176.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.8 p -77.2 -31.81 55.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.7 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 m -86.29 -1.06 57.16 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.531 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' B' ' 54' ' ' ARG . 62.8 tp . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.565 ' HB ' ' HG3' ' B' ' 11' ' ' GLN . 27.1 m . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.94 -28.11 69.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.937 -173.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.26 -30.21 68.28 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.8 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.565 ' HG3' ' HB ' ' B' ' 8' ' ' THR . 22.7 mt-30 -64.22 -48.33 76.28 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.438 HG21 HD12 ' A' ' 32' ' ' LEU . 61.0 t -55.13 -50.59 62.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.434 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -54.59 -47.52 73.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.327 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -66.83 -36.6 82.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.556 HG13 ' O ' ' B' ' 11' ' ' GLN . 58.8 mt -67.42 -49.1 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 99.1 mt -56.27 -42.33 77.27 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.701 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -52.04 66.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.256 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.514 ' O ' HG22 ' B' ' 22' ' ' VAL . 46.0 mt-10 -67.82 -38.45 83.27 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.136 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.488 ' O ' HD13 ' B' ' 23' ' ' LEU . 65.3 t -64.69 -53.39 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.583 0.23 . . . . 0.0 111.178 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.32 -30.27 71.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.954 0.407 . . . . 0.0 110.871 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 tt -65.61 -35.21 80.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.533 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.514 HG22 ' O ' ' B' ' 18' ' ' GLU . 71.0 t -68.49 -43.6 83.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.2 0.524 . . . . 0.0 109.845 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.488 HD13 ' O ' ' B' ' 19' ' ' VAL . 4.7 mp -57.61 -48.87 78.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.865 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.38 -47.47 67.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.442 -176.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -68.92 -21.65 64.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -96.46 3.37 52.82 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.964 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.79 48.18 14.2 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.198 0.523 . . . . 0.0 111.004 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.1 123.37 21.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.865 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -58.37 151.44 49.04 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.164 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.61 -48.34 21.87 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.742 2.295 . . . . 0.0 113.058 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.567 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -65.03 -41.86 94.88 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.473 HD11 HG22 ' A' ' 12' ' ' VAL . 54.8 tp -61.43 -42.2 98.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.329 177.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 96.6 m -53.18 -45.99 68.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.752 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tt -75.7 -34.99 60.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.667 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.7 ttp -66.55 -32.16 73.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.94 0.4 . . . . 0.0 110.393 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 40' ' ' ILE . 47.8 mt -64.88 -42.27 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.259 175.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . 0.424 ' HA ' HD11 ' B' ' 40' ' ' ILE . . . -60.48 -36.23 77.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.267 175.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.411 ' CA ' ' HE1' ' A' ' 61' ' ' PHE . . . -64.18 -41.78 98.23 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.071 175.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -61.21 -40.22 93.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.607 0.242 . . . . 0.0 110.376 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' B' ' 37' ' ' ALA . 84.8 mt -55.67 -58.65 4.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.06 175.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.509 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -56.0 -46.38 78.74 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.49 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 67.0 m -56.49 -53.78 53.44 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.939 0.4 . . . . 0.0 111.172 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.44 -37.16 86.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 40' ' ' ILE . 69.4 t -68.21 -44.51 84.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.835 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.541 ' O ' HG11 ' B' ' 49' ' ' VAL . 94.1 mt -62.4 -45.14 94.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.873 0.368 . . . . 0.0 111.371 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -81.08 -23.08 38.71 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -125.87 -23.49 3.97 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -173.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.416 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 82.3 mtt180 -118.84 -6.93 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -171.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.541 HG11 ' O ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -119.61 162.96 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.631 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . 0.552 ' HB1' ' HB2' ' B' ' 53' ' ' GLN . . . -65.36 138.56 58.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.461 -177.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.92 94.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -66.15 -26.39 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.353 0.597 . . . . 0.0 110.61 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.552 ' HB2' ' HB1' ' B' ' 50' ' ' ALA . 8.2 tp60 -92.87 -17.48 24.0 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.441 -171.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.795 ' HB3' HD11 ' A' ' 69' ' ' LEU . 91.8 mtt180 -50.06 -59.97 3.39 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -172.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 9.7 tmtt? -68.86 -34.73 75.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.004 0.431 . . . . 0.0 110.464 -175.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.31 -47.79 54.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.833 -175.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.406 HG23 ' O ' ' B' ' 53' ' ' GLN . 16.8 tt -73.21 -32.21 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.66 -176.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.51 -35.02 78.3 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.156 0.503 . . . . 0.0 109.991 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.31 -49.9 69.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.675 176.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -58.91 -42.21 89.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.16 -47.84 80.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.837 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -64.23 -45.41 88.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.273 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -45.01 96.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.76 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.93 99.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.749 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.02 -37.97 89.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.918 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.6 mmt -71.86 -24.32 61.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.044 0.45 . . . . 0.0 110.57 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 24.4 m -82.13 -26.03 33.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.839 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.9 p -95.8 3.58 53.63 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.464 0.649 . . . . 0.0 110.288 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.977 HD11 HD13 ' A' ' 45' ' ' LEU . 9.6 tt . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.131 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 67.1 m-85 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 121.158 0.504 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -111.11 140.14 45.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.797 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -62.22 -31.48 72.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.284 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 7.5 tp10 -59.7 -53.59 56.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.51 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.494 ' O ' HG13 ' A' ' 15' ' ' ILE . 54.0 tt0 -62.15 -46.78 87.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.664 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 HG23 HD11 ' B' ' 32' ' ' LEU . 57.4 t -61.64 -41.67 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.687 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.57 -45.27 81.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 67.6 mmtt -63.69 -42.18 98.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.531 -176.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 11' ' ' GLN . 39.7 mt -63.82 -51.96 63.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.089 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' CD2' HG22 ' B' ' 36' ' ' ILE . 85.5 mt -56.94 -41.36 78.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.308 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.44 93.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.321 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' HG21 ' A' ' 22' ' ' VAL . 39.2 mt-10 -76.16 -32.0 58.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.327 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.519 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 78.1 t -60.86 -46.88 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 174.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.83 73.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.671 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.19 -39.4 92.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.212 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 18' ' ' GLU . 99.8 t -65.49 -41.22 90.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.22 177.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 62.7 mt -61.1 -49.66 76.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.28 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -60.14 -39.11 85.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.437 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -58.08 -43.88 87.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.205 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -94.77 7.81 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.595 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.93 42.54 28.63 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.425 0.631 . . . . 0.0 110.45 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -63.17 115.75 4.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.185 -176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 p -63.09 157.83 59.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.631 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.454 ' HB3' ' O ' ' B' ' 48' ' ' ARG . 72.3 Cg_exo -50.35 -45.0 36.27 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.897 2.398 . . . . 0.0 112.406 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.33 -45.57 87.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 28' ' ' ALA . 53.8 tp -61.19 -45.08 96.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.246 177.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.465 HG21 HD11 ' A' ' 23' ' ' LEU . 93.7 m -55.67 -51.56 66.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.481 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.24 -30.79 65.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.606 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -67.45 -36.12 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.105 0.478 . . . . 0.0 110.05 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.44 HG23 HD23 ' B' ' 16' ' ' LEU . 34.6 mt -61.08 -45.68 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.439 174.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.28 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.25 -44.2 98.41 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.897 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -59.76 -46.84 87.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 44' ' ' VAL . 85.1 mt -53.58 -58.79 2.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.92 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -178.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.0 m -62.45 -42.74 99.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.399 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -37.53 85.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.917 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 40' ' ' ILE . 86.2 t -65.73 -49.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.42 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.15 -45.78 86.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.73 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -77.72 -22.79 49.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.776 -174.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -106.81 -71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -112.59 79.18 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -168.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 p -172.42 159.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.88 125.07 24.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.462 0.173 . . . . 0.0 110.546 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.75 67.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.363 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 p -73.81 -16.91 61.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 0.0 111.051 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.472 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 8.6 tp-100 -97.5 -13.86 21.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.573 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -51.89 -61.84 2.0 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -174.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -57.46 -44.77 85.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.711 0.291 . . . . 0.0 111.264 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 57.8 mt -62.74 -51.05 68.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.637 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.472 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 13.8 tt -72.61 -22.91 20.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.827 -174.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.68 -36.0 60.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.108 0.48 . . . . 0.0 109.94 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -48.34 78.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.697 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 88.5 mttt -59.06 -41.7 88.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.238 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.464 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 83.0 t80 -58.74 -55.96 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.699 177.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.14 85.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -64.88 -36.26 83.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.74 95.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.695 0.283 . . . . 0.0 110.597 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp -57.63 -41.92 82.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.983 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.515 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . 54.7 mtt -85.18 -13.6 49.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.352 -175.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.8 t -82.82 -38.22 23.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.279 0.561 . . . . 0.0 109.49 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -97.65 14.82 25.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.724 HD22 ' HG2' ' B' ' 55' ' ' LYS . 23.7 tp . . . . . 0 C--O 1.234 0.273 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.574 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.491 ' HB ' ' HB3' ' B' ' 11' ' ' GLN . 4.8 m . . . . . 0 C--O 1.233 0.229 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -64.26 -40.44 96.0 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -170.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.536 ' HG2' ' HD3' ' B' ' 14' ' ' LYS . 18.7 tt0 -70.0 -36.66 75.3 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.382 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.54 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.6 tt0 -61.68 -46.22 90.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.342 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.8 -44.39 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.316 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -54.98 -46.28 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.485 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.536 ' HD3' ' HG2' ' B' ' 10' ' ' GLU . 1.4 mptm? -65.36 -42.91 92.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.558 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 11' ' ' GLN . 64.8 mt -63.69 -42.34 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.44 HD23 HG23 ' A' ' 36' ' ' ILE . 91.7 mt -59.26 -42.84 92.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.359 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.49 99.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.933 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.454 ' O ' HG22 ' B' ' 22' ' ' VAL . 45.2 mt-10 -62.96 -46.7 86.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.91 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 81.5 t -59.86 -45.06 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.367 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.502 ' HA ' HD11 ' B' ' 23' ' ' LEU . . . -60.76 -36.02 77.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.086 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 55.0 mt -69.41 -32.4 71.36 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.983 177.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.454 HG22 ' O ' ' B' ' 18' ' ' GLU . 96.3 t -63.47 -40.17 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.502 HD11 ' HA ' ' B' ' 20' ' ' ALA . 39.0 mt -62.86 -53.3 56.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.023 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.11 -35.9 78.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.904 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 21' ' ' LEU . 13.4 tmtt? -68.41 -24.53 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.817 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -110.41 11.89 23.13 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.35 -0.218 . . . . 0.0 111.388 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.26 47.85 13.53 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.627 0.579 . . . . 0.0 111.292 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' B' ' 23' ' ' LEU . . . -85.85 115.43 23.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.923 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.709 ' HB2' ' OE2' ' B' ' 31' ' ' GLU . 4.7 m -69.47 161.76 71.57 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.344 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 9.4 Cg_endo -52.96 -41.14 73.35 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.156 2.571 . . . . 0.0 113.653 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.709 ' OE2' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -69.1 -40.41 78.41 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.266 -178.136 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 57.0 tp -62.81 -42.23 99.63 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 172.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' B' ' 30' ' ' PRO . 53.5 m -53.29 -47.75 68.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.173 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.11 -37.21 78.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.53 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.1 ttp -65.54 -32.57 74.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.124 0.488 . . . . 0.0 109.98 176.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' A' ' 16' ' ' LEU . 34.6 mt -64.36 -43.08 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.765 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.59 79.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.556 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.19 99.73 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.799 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -60.35 -44.11 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.548 0.213 . . . . 0.0 110.601 176.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.47 ' O ' HG23 ' B' ' 44' ' ' VAL . 77.2 mt -56.89 -59.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.53 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -55.15 -48.71 73.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.656 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 34.5 m -61.09 -44.85 96.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.481 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' B' ' 47' ' ' GLN . 80.4 m-20 -65.1 -36.09 83.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.536 0.207 . . . . 0.0 110.785 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 40' ' ' ILE . 74.2 t -63.6 -43.82 98.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.7 0.286 . . . . 0.0 110.239 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 94.4 mt -63.22 -28.58 70.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.235 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -73.17 -47.77 40.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.472 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' B' ' 43' ' ' ASN . 10.0 pt20 -115.81 -62.56 1.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -172.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 93.8 mtt180 -85.96 59.16 5.46 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' B' ' 45' ' ' LEU . 8.0 p -166.56 152.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 172.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 131.75 51.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.155 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.23 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.4 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -75.88 -13.33 60.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.827 0.346 . . . . 0.0 111.623 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.485 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.9 tp-100 -96.29 -16.54 21.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.422 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -48.37 -56.21 8.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -172.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.724 ' HG2' HD22 ' A' ' 69' ' ' LEU . 47.6 mtpt -75.89 -35.01 59.98 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.329 -175.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -65.5 -47.37 76.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.97 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.485 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 15.1 tt -71.06 -27.15 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.902 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.09 -39.02 72.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.09 0.471 . . . . 0.0 110.282 176.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -65.03 -46.78 79.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 175.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.27 -38.45 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.574 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . 0.464 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 74.5 t80 -67.36 -48.44 67.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.003 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.71 94.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.307 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -67.9 -33.29 74.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.385 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.61 94.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.742 0.306 . . . . 0.0 110.404 176.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.63 -44.83 95.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.196 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mmt -71.2 -29.89 65.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.432 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.9 p -84.59 -24.95 28.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.702 0.287 . . . . 0.0 111.067 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 18.2 m -94.3 2.02 55.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.372 0.606 . . . . 0.0 110.241 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 tp . . . . . 0 N--CA 1.451 -0.413 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.625 178.387 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.402 ' HB3' ' H ' ' A' ' 8' ' ' THR . 98.4 m-85 . . . . . 0 C--O 1.235 0.32 0 CA-C-O 121.015 0.436 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.738 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 18.8 m -88.69 131.5 34.98 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.63 -60.82 2.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.529 -175.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 42.3 mt-10 -64.51 -27.99 69.35 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.328 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.738 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 59.0 tt0 -58.63 -51.99 67.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 48.9 t -64.85 -51.35 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.703 177.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.525 ' HA ' HD12 ' A' ' 16' ' ' LEU . 34.6 tt0 -65.03 -37.45 87.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.375 -172.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -76.97 -32.29 57.17 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.038 -178.103 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.8 -42.17 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.584 HD23 HG22 ' B' ' 36' ' ' ILE . 91.9 mt -56.31 -46.25 79.9 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.22 174.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.7 88.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.687 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' HG21 ' A' ' 22' ' ' VAL . 43.4 mt-10 -66.52 -44.89 81.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.64 0.257 . . . . 0.0 110.535 177.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 87.0 t -59.62 -46.87 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.115 0.483 . . . . 0.0 110.298 176.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HA ' HD13 ' A' ' 23' ' ' LEU . . . -61.49 -33.61 74.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.81 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.7 tp -69.1 -38.43 78.95 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.478 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 18' ' ' GLU . 97.0 t -62.12 -36.58 75.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.548 0.69 . . . . 0.0 109.397 176.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 73.7 mt -63.78 -51.33 65.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.086 175.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.95 -38.15 90.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.68 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -51.82 -42.13 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.294 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -99.25 7.06 46.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.05 40.13 31.83 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.834 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.37 131.37 50.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.627 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.1 m -76.85 162.16 71.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.988 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -48.48 -47.16 21.2 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.295 2.663 . . . . 0.0 113.709 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.44 -47.56 85.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD1' HG21 ' B' ' 12' ' ' VAL . 47.2 tp -58.93 -40.51 84.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.299 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.447 HG21 HD12 ' A' ' 23' ' ' LEU . 92.9 m -55.35 -52.92 61.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.335 177.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 tt -73.35 -31.94 64.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.538 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.6 ttm -60.0 -42.13 93.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.318 0.58 . . . . 0.0 110.1 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.593 HG21 HD23 ' B' ' 16' ' ' LEU . 71.4 mt -64.45 -40.03 87.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.758 178.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.99 83.27 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.99 0.424 . . . . 0.0 110.388 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.13 -40.74 95.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.147 177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -61.33 -39.71 91.54 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 36' ' ' ILE . 77.6 mt -59.3 -55.31 24.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.289 176.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -54.03 -50.95 65.52 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.56 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.9 p -62.7 -48.33 79.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -34.0 75.68 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 111.1 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 40' ' ' ILE . 76.9 t -66.34 -44.76 90.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.225 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 86.7 mt -59.09 -49.14 79.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.219 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -53.55 -57.58 10.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.735 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -98.02 -44.36 6.68 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -167.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -92.8 -37.01 12.55 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.458 0.911 . . . . 0.0 113.458 -166.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.536 HG23 ' HB3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -91.3 151.26 3.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.338 -173.203 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.27 156.61 29.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.385 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.99 84.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.45 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 t -64.3 -31.54 72.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.26 0.552 . . . . 0.0 110.342 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HB3' HG23 ' A' ' 49' ' ' VAL . 10.3 tp60 -82.79 -21.54 34.53 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.123 -174.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -43.68 -60.01 1.97 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.05 0.844 . . . . 0.0 112.644 -173.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -59.72 -49.79 76.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.051 0.453 . . . . 0.0 111.164 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.5 mt -66.51 -47.23 73.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.278 -174.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.906 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 15.8 tt -68.74 -30.15 46.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.799 -175.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.93 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.341 . . . . 0.0 110.667 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -73.88 -32.01 63.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.893 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.906 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 48.3 mtpt -53.74 -46.98 71.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.314 0.578 . . . . 0.0 109.883 170.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' HB2' HD23 ' B' ' 34' ' ' LEU . 57.9 t80 -60.66 -53.05 62.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.409 177.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.99 -42.78 99.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.71 -176.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -60.32 -53.8 53.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.674 0.273 . . . . 0.0 110.567 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.43 -35.41 70.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.759 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -69.96 -40.78 75.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 23.2 mmt -73.43 -32.97 64.69 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -71.83 -22.03 61.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.007 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.9 m -105.04 7.46 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.097 0.475 . . . . 0.0 110.745 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.543 HD11 HD11 ' B' ' 45' ' ' LEU . 58.6 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.988 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' B' ' 11' ' ' GLN . 2.0 p . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -65.03 -35.14 80.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.788 0.327 . . . . 0.0 110.776 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.49 -36.22 79.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.275 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . 0.519 ' O ' HG13 ' B' ' 15' ' ' ILE . 38.6 tt0 -63.82 -58.79 5.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.263 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.402 HG21 ' CD1' ' A' ' 32' ' ' LEU . 45.5 t -52.6 -56.8 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.309 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -50.75 -51.54 49.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.309 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -84.3 -19.3 33.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.994 -169.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 11' ' ' GLN . 76.4 mt -70.53 -41.31 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 170.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.593 HD23 HG21 ' A' ' 36' ' ' ILE . 95.7 mt -56.59 -41.84 77.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.228 174.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.77 87.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.221 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.406 ' O ' HG22 ' B' ' 22' ' ' VAL . 45.8 mt-10 -67.03 -44.32 80.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.895 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 78.5 t -60.8 -49.96 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 111.015 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.48 -32.84 74.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.33 -43.27 95.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.339 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.406 HG22 ' O ' ' B' ' 18' ' ' GLU . 99.2 t -61.74 -41.5 90.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.341 0.591 . . . . 0.0 110.313 178.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 63.9 mt -64.8 -46.17 83.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.693 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.34 -37.54 85.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.058 0.456 . . . . 0.0 110.378 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -63.68 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -87.39 7.37 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.33 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.6 36.62 16.68 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.51 0.506 . . . . 0.0 111.218 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HA ' HD22 ' B' ' 32' ' ' LEU . . . -67.46 114.82 6.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.808 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.465 ' OG ' ' HD2' ' B' ' 30' ' ' PRO . 4.9 t -71.48 153.64 93.7 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.246 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.465 ' HD2' ' OG ' ' B' ' 29' ' ' SER . 8.7 Cg_exo -35.19 -53.35 0.73 Allowed 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.297 3.331 . . . . 0.0 114.371 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.515 ' CD ' ' HZ3' ' A' ' 60' ' ' LYS . 37.3 mm-40 -57.78 -46.25 84.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.889 0.376 . . . . 0.0 111.199 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.546 ' O ' HG12 ' B' ' 36' ' ' ILE . 53.9 tp -64.86 -47.75 76.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.979 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' THR . . . . . 0.5 HG21 HD12 ' B' ' 23' ' ' LEU . 52.4 m -55.2 -50.68 68.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.586 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.514 HD23 ' HB2' ' A' ' 61' ' ' PHE . 6.6 tt -69.71 -34.67 74.22 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.345 -176.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 39.9 ttp -69.36 -30.45 68.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.259 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.584 HG22 HD23 ' A' ' 16' ' ' LEU . 23.9 mm -58.11 -50.25 78.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 172.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.12 81.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.008 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.84 -42.91 99.74 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.148 -0.549 . . . . 0.0 112.169 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -63.44 -41.84 98.67 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . 0.553 HG12 ' O ' ' B' ' 36' ' ' ILE . 50.2 mm -54.46 -52.89 35.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.682 178.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.52 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -60.62 -43.59 97.32 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.686 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 85.6 m -58.37 -49.93 75.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.454 ' O ' ' HG2' ' B' ' 47' ' ' GLN . 15.4 m120 -56.98 -46.54 82.16 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 121.04 0.448 . . . . 0.0 110.313 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 55.7 t -61.32 -42.5 93.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 69' ' ' LEU . 95.1 mt -63.08 -23.68 67.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.931 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.413 ' N ' HD21 ' B' ' 46' ' ' ASN . 0.9 OUTLIER -90.06 -46.87 8.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.86 179.138 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' B' ' 43' ' ' ASN . 5.9 pt20 -134.35 26.26 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -166.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.573 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 12.7 mmm180 -142.02 -36.23 0.42 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.347 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.444 HG21 HG21 ' B' ' 57' ' ' ILE . 9.9 p -88.37 152.93 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.18 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 152.55 44.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.438 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.37 -46.9 87.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.351 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -29.59 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.299 0.571 . . . . 0.0 110.092 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' B' ' 56' ' ' LEU . 10.4 tp60 -88.54 -6.39 57.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.441 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -60.03 -66.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -168.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -72.32 -30.4 64.74 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.844 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.402 ' HB3' HE21 ' B' ' 53' ' ' GLN . 4.7 tt -62.99 -45.73 91.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.963 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.444 HG21 HG21 ' B' ' 49' ' ' VAL . 9.8 tt -72.86 -26.16 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.3 82.25 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.112 0.482 . . . . 0.0 110.134 174.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.89 -47.26 72.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.15 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LYS . . . . . 0.419 ' HB3' ' HA ' ' B' ' 57' ' ' ILE . 86.9 tttt -52.73 -49.72 64.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.262 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -69.17 -48.76 61.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.517 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.88 -43.39 94.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.403 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.98 -36.95 80.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.094 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.62 96.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.035 0.445 . . . . 0.0 110.146 176.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 25.3 tp -63.49 -40.63 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.358 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.6 mmt -72.97 -29.49 63.1 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.357 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 27.1 t -72.85 -24.02 60.83 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 176.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -98.4 9.19 43.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.547 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.225 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.681 0.277 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -84.86 24.72 0.74 Allowed 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.058 2.505 . . . . 0.0 113.946 -173.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.423 ' C ' ' H ' ' A' ' 5' ' ' SER . 2.7 pp -97.37 151.04 4.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.824 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.1 m 73.85 -31.43 0.22 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.037 0.535 . . . . 0.0 112.167 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.629 ' HA ' ' HE1' ' B' ' 35' ' ' MET . 6.0 p -78.24 -95.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -177.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 5' ' ' SER . 54.9 tttm 69.27 -13.33 0.37 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.84 0.456 . . . . 0.0 111.132 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' A' ' 5' ' ' SER . 35.4 m-85 -82.67 163.01 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.733 0.301 . . . . 0.0 110.367 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.484 HG23 ' HB3' ' A' ' 10' ' ' GLU . 23.4 m -64.3 125.94 26.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.588 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -65.16 -32.65 74.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.707 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.484 ' HB3' HG23 ' A' ' 8' ' ' THR . 10.7 tp10 -52.53 -52.82 52.89 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.166 0.507 . . . . 0.0 109.733 171.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.553 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.2 tt0 -59.72 -55.03 39.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.922 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.1 t -57.3 -49.81 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.53 -176.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.08 -42.84 95.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.091 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 31.4 mmtp -67.97 -33.77 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.109 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 11' ' ' GLN . 61.3 mt -69.33 -44.36 80.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 95.7 mt -56.62 -42.17 78.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.6 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.64 85.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.14 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.16 -38.19 72.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.429 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.445 HG13 HG13 ' B' ' 19' ' ' VAL . 79.8 t -64.21 -48.28 86.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.883 0.373 . . . . 0.0 110.543 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.96 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.689 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.541 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 10.1 tt -61.36 -40.52 94.6 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.119 177.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.61 -37.26 79.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.188 0.518 . . . . 0.0 110.695 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 HG23 ' A' ' 33' ' ' THR . 80.4 mt -70.14 -43.39 71.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.453 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.24 -37.37 85.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.39 0.614 . . . . 0.0 109.992 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 2.9 tmtt? -56.78 -38.62 72.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.383 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -103.23 11.9 36.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.487 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.63 42.69 29.23 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.485 0.491 . . . . 0.0 111.543 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.528 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -61.91 123.69 18.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.197 0.522 . . . . 0.0 111.612 -177.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.511 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 10.4 m -76.48 163.75 64.05 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.823 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 3.3 Cg_endo -46.45 -55.31 3.86 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.372 2.715 . . . . 0.0 114.304 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.77 -41.88 99.44 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.998 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.595 ' O ' HG12 ' A' ' 36' ' ' ILE . 47.4 tp -59.25 -47.66 84.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.482 HG23 HD12 ' A' ' 23' ' ' LEU . 85.8 m -52.61 -51.87 58.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.429 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.58 -32.05 62.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.744 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.9 ttp -71.05 -30.77 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.515 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 32' ' ' LEU . 26.8 mm -60.72 -46.8 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.27 85.04 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.018 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.425 ' CA ' ' HE1' ' B' ' 61' ' ' PHE . . . -61.48 -46.39 94.44 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.381 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -61.05 -38.5 86.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.655 0.264 . . . . 0.0 110.836 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 36' ' ' ILE . 81.9 mt -59.13 -55.18 25.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.398 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.82 88.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.7 m -58.76 -49.63 76.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -59.96 -42.12 93.4 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.991 0.424 . . . . 0.0 110.751 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 40' ' ' ILE . 65.9 t -61.5 -45.35 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.063 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.447 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 91.6 mt -68.69 -12.84 61.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.665 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.52 -56.2 2.68 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.87 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -107.29 -23.14 12.35 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.662 ' HB3' ' HB3' ' B' ' 30' ' ' PRO . 45.8 mtt180 -99.87 -39.73 8.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -170.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.447 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 4.6 p -86.72 164.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.03 154.26 23.36 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.6 74.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.648 0.261 . . . . 0.0 111.345 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -65.8 -32.87 74.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.275 0.56 . . . . 0.0 110.774 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 11.0 tp60 -85.35 -6.24 59.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.47 -176.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -67.5 -60.2 2.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.173 -167.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 48.7 tptt -62.54 -38.29 89.46 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.176 -0.209 . . . . 0.0 110.887 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.2 -50.94 66.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.498 ' HB ' ' O ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -64.23 -31.3 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -178.183 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.489 ' HB2' ' HE3' ' B' ' 66' ' ' MET . . . -68.84 -46.06 69.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.793 176.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 23.9 mm-40 -63.15 -42.94 99.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.953 0.406 . . . . 0.0 110.07 176.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -54.4 -45.72 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.142 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.475 ' HB2' HD23 ' B' ' 34' ' ' LEU . 58.3 t80 -63.35 -48.39 78.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.099 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -62.55 -44.54 96.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.423 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -66.44 -38.5 87.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.128 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.48 -31.34 72.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.14 0.495 . . . . 0.0 110.31 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.0 tp -74.96 -37.38 61.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.649 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.605 ' HE1' ' HA ' ' A' ' 66' ' ' MET . 29.6 mmt -65.42 -36.29 83.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 110.63 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -79.92 -25.32 40.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.19 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -83.47 -13.76 53.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.198 0.523 . . . . 0.0 110.202 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.59 HD23 ' HG2' ' B' ' 54' ' ' ARG . 6.4 tt -71.71 97.52 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -97.33 84.07 3.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.627 0.727 . . . . 0.0 112.295 -170.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.452 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 4.7 p -88.43 162.03 40.87 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.794 166.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.38 104.94 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.467 2.112 . . . . 0.0 111.682 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 71' ' ' THR . 64.4 mttp -103.24 106.68 17.25 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.188 0.518 . . . . 0.0 111.081 -177.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.98 88.59 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.225 -1.352 . . . . 0.0 112.495 170.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -75.82 118.83 19.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.431 HD13 ' H ' ' A' ' 76' ' ' LEU . 5.3 mp -68.08 132.5 47.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.085 -177.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.22 165.06 28.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -132.77 44.86 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.008 0.432 . . . . 0.0 110.139 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -133.51 -17.72 2.26 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.298 -0.251 . . . . 0.0 111.676 -176.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 43.88 45.32 6.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 122.273 1.035 . . . . 0.0 109.867 -171.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -81.69 149.97 28.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.189 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -107.08 151.61 25.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.188 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.6 t60 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.144 -0.932 . . . . 0.0 109.167 179.158 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.412 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 24.8 mmt . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 2.1 Cg_endo -83.06 45.27 1.84 Allowed 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.405 2.736 . . . . 0.0 113.135 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.5 pt -74.06 -21.95 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 109.971 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.7 m -117.48 152.11 35.73 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m -48.34 133.17 16.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.862 0.363 . . . . 0.0 111.005 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.752 ' H ' ' HD2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -77.51 86.14 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.841 0.829 . . . . 0.0 111.262 -174.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 51.7 m-85 -85.67 162.45 18.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.355 -0.838 . . . . 0.0 109.027 172.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.5 ' HB ' ' CB ' ' B' ' 11' ' ' GLN . 11.2 m -57.87 122.47 13.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -60.73 -48.09 83.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.754 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 42.2 tt0 -63.41 -33.06 74.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.421 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.5 ' CB ' ' HB ' ' B' ' 8' ' ' THR . 7.6 tt0 -62.8 -45.83 90.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.196 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.29 -45.59 85.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.286 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.489 ' CD ' ' HZ3' ' B' ' 14' ' ' LYS . 1.8 tt0 -57.87 -45.21 86.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.827 177.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.489 ' HZ3' ' CD ' ' B' ' 13' ' ' GLU . 47.4 mmtm -66.13 -39.69 90.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 -177.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.474 ' O ' HG21 ' B' ' 19' ' ' VAL . 79.1 mt -62.86 -46.55 96.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.786 0.327 . . . . 0.0 110.148 176.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.63 -41.52 81.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.35 95.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.286 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.437 ' O ' HG22 ' B' ' 22' ' ' VAL . 41.2 mt-10 -68.5 -36.79 79.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.182 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.474 HG21 ' O ' ' B' ' 15' ' ' ILE . 82.1 t -63.76 -45.9 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.283 176.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.403 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -63.15 -32.12 73.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.754 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.29 -40.63 96.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.089 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.437 HG22 ' O ' ' B' ' 18' ' ' GLU . 95.0 t -65.66 -36.22 77.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.009 0.433 . . . . 0.0 110.433 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 81.2 mt -62.24 -48.03 81.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.113 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.55 -39.67 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.241 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.78 -22.06 45.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.776 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -124.07 13.25 9.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.53 45.77 27.97 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.507 0.504 . . . . 0.0 111.777 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.05 127.24 31.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.885 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.496 ' HB2' ' HD2' ' B' ' 30' ' ' PRO . 81.2 p -69.6 164.38 50.77 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.304 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.662 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 9.8 Cg_endo -53.8 -47.81 25.18 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.556 2.171 . . . . 0.0 111.907 176.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.97 -50.25 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.419 ' O ' HG13 ' B' ' 36' ' ' ILE . 56.8 tp -59.04 -45.93 89.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.176 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 57.4 m -56.36 -52.8 63.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.493 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 61' ' ' PHE . 6.6 tt -67.76 -35.04 77.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.523 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.629 ' HE1' ' HA ' ' A' ' 5' ' ' SER . 31.9 ttp -68.63 -32.82 72.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.914 0.388 . . . . 0.0 110.602 176.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.454 ' O ' HG13 ' B' ' 40' ' ' ILE . 33.5 mt -62.51 -43.77 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.244 174.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.96 79.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.126 0.488 . . . . 0.0 110.227 175.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.408 ' CA ' ' HE1' ' A' ' 61' ' ' PHE . . . -61.19 -46.51 94.34 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.035 175.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -58.06 -39.75 79.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.606 0.241 . . . . 0.0 110.865 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.586 ' O ' HG23 ' B' ' 44' ' ' VAL . 64.5 mt -58.34 -58.22 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.81 -36.95 75.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -59.61 -48.27 82.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -63.36 -35.81 81.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.626 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.665 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 47.2 t -60.25 -52.56 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.026 0.441 . . . . 0.0 110.044 175.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.503 HD21 ' HG3' ' B' ' 54' ' ' ARG . 82.7 mt -69.54 -13.1 62.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.797 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -99.73 -37.98 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -145.57 31.05 1.08 Allowed 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 118.68 0.673 . . . . 0.0 110.597 -166.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.665 ' HB3' ' HA ' ' B' ' 44' ' ' VAL . 19.9 ttm180 -155.61 -46.47 0.08 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.873 -0.731 . . . . 0.0 112.498 -169.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.474 HG21 HG21 ' B' ' 57' ' ' ILE . 2.6 p -86.02 164.44 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.761 0.315 . . . . 0.0 111.01 -177.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.77 139.5 38.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.521 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.57 74.99 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 122.533 0.333 . . . . 0.0 111.533 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.8 m -69.11 -31.89 70.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.139 0.495 . . . . 0.0 110.968 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.424 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.7 tp-100 -83.66 -16.28 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.019 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.59 ' HG2' HD23 ' A' ' 69' ' ' LEU . 10.9 ttp180 -57.53 -51.96 67.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.018 -167.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -75.05 -32.39 61.52 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.442 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -69.68 -50.95 38.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.474 HG21 HG21 ' B' ' 49' ' ' VAL . 14.7 tt -66.47 -29.43 46.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . 0.48 ' HB3' ' HE2' ' A' ' 66' ' ' MET . . . -71.01 -41.27 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.823 0.344 . . . . 0.0 110.452 176.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.57 -42.45 91.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.866 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.6 -42.81 88.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.834 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.425 ' HE1' ' CA ' ' A' ' 38' ' ' GLY . 77.7 t80 -60.95 -54.92 39.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.992 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -58.47 -43.58 88.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.273 -178.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -42.7 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.75 91.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.511 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 22.6 tp -65.99 -36.6 83.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.855 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.489 ' HE3' ' HB2' ' A' ' 58' ' ' ALA . 30.7 mmt -68.16 -36.91 80.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.889 0.376 . . . . 0.0 110.611 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.9 p -82.81 -7.53 59.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.066 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.6 m -103.39 -2.05 27.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.362 0.601 . . . . 0.0 110.083 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tt -77.16 99.19 5.33 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -113.77 170.89 7.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.819 0.819 . . . . 0.0 112.616 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.8 p -149.95 167.26 13.37 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 114.083 -1.417 . . . . 0.0 108.516 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.75 45.04 0.43 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.781 2.321 . . . . 0.0 112.253 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -104.64 4.49 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.503 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.2 t -68.49 129.65 40.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.355 0.598 . . . . 0.0 110.74 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -134.27 113.21 11.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.395 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt 56.54 79.05 0.19 Allowed 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.753 0.658 . . . . 0.0 111.734 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.13 -175.09 2.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.082 177.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -77.36 -54.81 6.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.535 0.207 . . . . 0.0 111.221 -174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -154.5 144.04 21.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.655 0.264 . . . . 0.0 110.821 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -89.3 43.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.064 0.459 . . . . 0.0 111.379 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -92.12 25.76 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -123.51 146.19 48.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.937 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.242 176.01 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 27.2 ttt . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.5 Cg_exo -74.22 168.1 25.59 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.975 2.45 . . . . 0.0 111.65 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 tp -102.1 110.87 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.163 0.506 . . . . 0.0 110.328 177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.5 m 69.28 75.26 0.24 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.769 0.795 . . . . 0.0 110.099 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -64.57 137.04 57.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.581 -1.191 . . . . 0.0 111.236 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 12.5 mptt -83.34 86.32 7.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.6 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -65.45 178.25 0.99 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.773 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.512 ' HB ' ' HG3' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -57.06 127.27 31.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.052 178.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.76 -46.59 77.84 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.83 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' OE1' HG22 ' A' ' 8' ' ' THR . 1.5 pm0 -58.47 -34.07 70.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.408 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.512 ' HG3' ' HB ' ' A' ' 8' ' ' THR . 24.1 mt-30 -66.58 -51.51 55.6 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.69 -53.35 50.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.152 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.37 -50.46 65.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.996 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 47.8 mttm -79.39 -24.08 42.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.611 -169.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 11' ' ' GLN . 79.7 mt -72.05 -42.16 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 172.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.547 HD22 HG22 ' B' ' 36' ' ' ILE . 80.0 mt -56.41 -43.85 79.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.121 173.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.51 -44.34 84.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.341 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 47.2 mt-10 -69.18 -43.23 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.075 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 94.2 t -59.35 -48.23 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.458 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.11 73.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.25 -40.94 90.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.19 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG21 ' O ' ' A' ' 18' ' ' GLU . 98.4 t -60.54 -42.02 89.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.135 0.493 . . . . 0.0 109.986 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 70.4 mt -60.74 -54.1 49.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.29 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.44 -29.34 70.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.84 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.13 -41.08 86.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.089 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -98.58 13.2 32.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.28 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.41 37.16 13.81 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.074 0.464 . . . . 0.0 111.308 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.51 116.72 8.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.112 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.504 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 15.4 m -68.77 161.63 69.89 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.72 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.823 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 6.1 Cg_endo -49.5 -39.26 45.29 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.306 2.67 . . . . 0.0 112.706 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.518 ' CD ' ' HZ1' ' B' ' 6' ' ' LYS . 41.0 mt-10 -60.24 -50.92 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.263 177.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.572 ' O ' HG12 ' A' ' 36' ' ' ILE . 25.0 tp -63.44 -29.31 70.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.7 m -59.25 -56.76 18.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.154 0.502 . . . . 0.0 110.795 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tt -71.53 -27.79 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.463 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 25.9 ttt -60.55 -44.47 96.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.058 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.572 HG12 ' O ' ' A' ' 32' ' ' LEU . 30.1 mm -59.52 -45.13 94.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.328 175.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.79 78.16 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.557 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.62 -38.59 96.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.175 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -66.46 -34.66 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.662 0.268 . . . . 0.0 110.418 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 36' ' ' ILE . 47.1 mm -61.99 -53.85 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.194 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.11 -43.31 82.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.034 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.9 m -63.04 -44.58 95.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -59.53 -41.05 89.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.193 0.521 . . . . 0.0 110.07 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.751 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 98.9 t -61.82 -46.79 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.007 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' HD3' ' A' ' 54' ' ' ARG . 95.9 mt -61.15 -26.32 67.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.074 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -73.41 -61.47 1.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.17 -42.61 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -171.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.751 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 13.7 mtt85 -79.87 33.0 0.26 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.5 HG23 ' H ' ' A' ' 50' ' ' ALA . 4.9 p -153.84 168.64 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' H ' HG23 ' A' ' 49' ' ' VAL . . . -96.3 150.3 20.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.513 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.06 -59.4 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -70.97 -17.21 62.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.704 ' HG3' HG12 ' A' ' 57' ' ' ILE . 13.6 tp60 -85.42 -21.46 28.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.57 -176.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.498 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 16.7 mtm-85 -53.99 -43.01 69.65 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 30.0 mmtp -64.37 -42.16 96.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.603 0.239 . . . . 0.0 111.396 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -72.19 -45.69 59.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.787 0.327 . . . . 0.0 110.156 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.704 HG12 ' HG3' ' A' ' 53' ' ' GLN . 17.1 mm -56.14 -50.71 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.748 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.13 83.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.664 0.269 . . . . 0.0 111.514 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -67.36 -46.77 72.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.353 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.17 -36.4 84.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.818 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -61.29 -49.94 75.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.395 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -62.99 -43.98 97.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -66.4 -42.82 87.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.747 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.04 -33.74 76.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.574 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.32 -39.78 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.92 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 25.1 mmt -69.96 -33.45 72.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.491 176.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.3 t -71.06 -33.02 69.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.411 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -94.95 6.41 49.14 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.306 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.602 HD13 HD13 ' B' ' 45' ' ' LEU . 64.3 tp -74.52 108.2 7.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.366 177.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.31 103.57 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.299 0.571 . . . . 0.0 109.95 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 29.0 p -88.83 135.68 31.74 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.507 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HG2' ' HB3' ' B' ' 51' ' ' ALA . 35.2 Cg_exo -60.97 -52.89 3.02 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.487 2.125 . . . . 0.0 111.339 178.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -171.85 171.84 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.87 138.41 50.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -81.53 133.73 35.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.002 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.47 108.55 4.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.662 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.98 96.91 1.35 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.485 0.66 . . . . 0.0 110.33 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -68.72 -21.0 64.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -136.81 104.76 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -71.0 124.29 24.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.275 0.559 . . . . 0.0 111.368 -175.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -154.98 104.1 2.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.524 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -88.08 140.67 29.25 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.9 p80 . . . . . 0 C--O 1.247 0.944 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 174.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.41 ' SD ' ' N ' ' B' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.632 0.253 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -86.26 102.24 0.64 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.998 2.465 . . . . 0.0 111.912 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 pt -64.75 -27.41 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 111.146 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -69.2 -27.89 65.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.874 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.4 t -102.41 76.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.378 0.609 . . . . 0.0 110.617 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.518 ' HZ1' ' CD ' ' A' ' 31' ' ' GLU . 35.6 mtmm -98.15 22.34 9.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.379 174.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 4.3 m-85 -118.41 175.57 5.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.91 -177.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.49 ' OG1' ' HB2' ' B' ' 11' ' ' GLN . 82.5 p -83.57 153.71 24.19 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.731 -0.387 . . . . 0.0 109.971 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -62.27 -34.68 77.02 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.664 0.268 . . . . 0.0 110.684 -177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.668 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 0.5 OUTLIER -72.42 -36.95 68.72 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.609 179.335 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.49 ' HB2' ' OG1' ' B' ' 8' ' ' THR . 51.3 tt0 -56.84 -49.9 74.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.187 0.517 . . . . 0.0 110.855 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.37 -41.66 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.122 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.62 -41.35 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.992 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.668 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 32.3 mmtp -63.5 -50.65 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.84 -44.49 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.855 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.54 -43.43 79.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.191 176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.43 98.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.4 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.0 mt-10 -64.05 -48.18 77.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.782 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.465 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 93.9 t -60.14 -45.42 95.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.557 178.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.77 86.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.854 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.53 -41.56 97.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.514 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.4 t -62.81 -44.94 99.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.968 0.413 . . . . 0.0 110.119 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 76.0 mt -62.79 -50.19 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.71 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -39.59 94.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.591 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.26 -41.57 99.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.767 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -83.61 -2.32 55.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.398 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.01 46.79 10.47 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.66 0.6 . . . . 0.0 110.695 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 118.96 9.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.26 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.8 p -69.61 161.39 74.55 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.236 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.06 -44.25 43.45 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.962 2.441 . . . . 0.0 112.329 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.47 -54.84 41.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.418 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.41 ' O ' HG13 ' B' ' 36' ' ' ILE . 53.1 tp -59.09 -44.39 91.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.649 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 92.5 m -55.5 -51.99 65.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.66 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.13 -32.72 61.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.71 -175.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttp -64.03 -34.6 78.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.998 0.428 . . . . 0.0 109.923 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.547 HG22 HD22 ' A' ' 16' ' ' LEU . 54.6 mt -62.32 -46.8 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.331 174.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.37 86.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.13 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.43 96.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.251 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -67.17 -40.54 86.62 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.489 HG13 ' O ' ' B' ' 36' ' ' ILE . 87.8 mt -57.86 -52.62 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.487 176.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.04 -48.08 82.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.147 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 14.8 p -66.19 -34.98 79.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.297 . . . . 0.0 111.405 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -66.71 -37.79 85.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.315 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' B' ' 47' ' ' GLN . 98.8 t -70.38 -36.93 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 110.192 174.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.602 HD13 HD13 ' A' ' 69' ' ' LEU . 95.1 mt -69.4 -11.12 60.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.23 0.538 . . . . 0.0 110.652 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.83 -48.46 5.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.101 171.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.58 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 47.8 mt-30 -132.31 137.64 47.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.776 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.823 ' HB3' ' HB3' ' A' ' 30' ' ' PRO . 50.9 mtt180 91.62 14.1 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.931 1.292 . . . . 0.0 111.839 175.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.502 HG11 ' HE ' ' B' ' 54' ' ' ARG . 1.3 p -139.38 147.15 24.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.417 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.6 140.11 51.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.48 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.448 ' HB3' ' HG2' ' A' ' 72' ' ' PRO . . . -61.98 -37.99 86.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.184 176.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -68.48 -33.12 73.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.233 0.54 . . . . 0.0 110.298 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.61 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.3 tp-100 -87.69 -3.51 58.96 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.37 -177.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.579 ' HG3' HD12 ' A' ' 69' ' ' LEU . 16.7 tpp85 -53.73 -65.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -170.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 10.2 tmtt? -75.86 -26.79 57.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.183 0.516 . . . . 0.0 109.924 -175.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 2.9 tt -70.95 -47.28 59.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.828 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.61 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.0 tt -69.21 -33.13 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.435 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.82 95.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.186 0.517 . . . . 0.0 109.987 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -61.84 -47.13 86.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.079 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 29.1 mtpp -60.77 -42.14 96.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.786 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -59.34 -44.87 92.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.055 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.01 90.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.94 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -62.11 -39.96 94.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.989 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.74 91.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.878 0.371 . . . . 0.0 110.722 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.97 -33.96 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.412 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -23.98 62.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 176.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 32.3 t -80.05 -32.37 39.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.769 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 27.4 p -82.61 -25.92 32.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.344 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.34 104.94 0.37 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.55 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -75.6 105.64 6.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.526 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' B' ' 72' ' ' PRO . 6.0 t -99.54 133.11 22.12 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.417 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 71' ' ' THR . 11.3 Cg_exo -71.85 158.8 52.17 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.212 1.941 . . . . 0.0 110.713 172.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 64.21 -157.08 0.31 Allowed 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.55 0.531 . . . . 0.0 110.36 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.1 p -74.6 -70.15 0.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.993 0.425 . . . . 0.0 111.251 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -152.32 -40.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mp -90.82 108.76 20.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.807 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -75.98 161.69 28.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.082 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 83.2 t60 75.93 -36.68 0.29 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.198 0.599 . . . . 0.0 111.656 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 12.0 t60 61.51 95.99 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.529 0.518 . . . . 0.0 111.168 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -166.05 103.01 0.65 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.259 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -170.33 134.67 1.19 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -84.58 -63.04 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.921 0.391 . . . . 0.0 110.456 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.523 -0.751 . . . . 0.0 109.798 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.5 101.0 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.488 2.125 . . . . 0.0 111.578 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -80.74 70.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.491 0.662 . . . . 0.0 111.943 -177.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.402 HG21 ' HG3' ' B' ' 35' ' ' MET . 5.3 m -92.24 137.72 32.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.805 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -62.94 132.01 50.62 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -81.76 -28.98 33.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -176.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.426 ' HB3' ' H ' ' A' ' 8' ' ' THR . 64.0 m-85 57.3 -156.6 0.3 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.33 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.426 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 5.7 m -85.41 125.98 33.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.15 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.38 -55.74 22.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.914 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.0 pm0 -59.41 -36.68 76.31 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.865 -176.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' O ' HG13 ' A' ' 15' ' ' ILE . 16.1 mm100 -57.94 -50.59 72.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.84 -52.18 60.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.602 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.41 -41.88 97.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.074 -175.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 68.2 mmtt -70.47 -40.57 73.59 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.127 -176.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.411 ' O ' HG22 ' A' ' 19' ' ' VAL . 77.1 mt -60.21 -44.96 96.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.158 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.79 -47.22 83.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.952 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.78 89.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.583 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 22' ' ' VAL . 7.6 mm-40 -66.41 -53.92 30.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.561 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.8 t -56.48 -49.76 75.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.344 -177.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.4 84.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.538 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.18 -40.45 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.697 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 18' ' ' GLU . 95.5 t -62.28 -42.98 97.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.076 0.465 . . . . 0.0 110.362 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 74.0 mt -62.72 -51.61 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.473 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -65.08 -33.32 75.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.543 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -65.06 -38.56 91.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.868 0.366 . . . . 0.0 110.796 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -84.02 5.8 24.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.409 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.3 38.43 19.74 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.242 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 138.32 55.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.815 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -84.84 161.09 54.23 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.53 -34.61 43.07 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.767 2.311 . . . . 0.0 112.731 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -61.53 -44.41 97.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.386 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.497 ' O ' HG12 ' A' ' 36' ' ' ILE . 44.5 tp -71.12 -38.67 72.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.413 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.5 m -56.39 -50.5 71.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.316 0.579 . . . . 0.0 110.775 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tt -74.21 -26.86 60.5 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.07 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.62 ' HE3' ' HB ' ' B' ' 4' ' ' THR . 41.1 ttm -63.94 -39.91 95.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.05 0.452 . . . . 0.0 110.149 174.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.5 ' O ' HG13 ' A' ' 40' ' ' ILE . 36.1 mm -61.93 -46.11 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.841 176.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.91 81.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.785 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.61 -46.98 93.16 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.267 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -57.83 -41.73 82.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.557 0.218 . . . . 0.0 110.646 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 44' ' ' VAL . 75.8 mt -56.53 -60.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.432 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.59 91.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.43 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 85.9 m -60.6 -46.62 89.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -72.2 -30.81 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.706 0.289 . . . . 0.0 110.779 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.554 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 70.8 t -62.68 -51.36 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.483 HD11 HD11 ' B' ' 69' ' ' LEU . 82.0 mt -68.74 -11.73 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.189 0.519 . . . . 0.0 110.838 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.537 ' HB2' ' O ' ' A' ' 42' ' ' THR . 1.9 t-20 -90.39 -48.25 7.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.487 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -130.63 -49.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.624 -174.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.554 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 20.0 mtp180 -86.89 40.15 0.89 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -167.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.457 HG22 HG21 ' A' ' 57' ' ' ILE . 4.7 p -151.0 151.35 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.8 146.11 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.271 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.2 -42.73 81.81 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.157 0.286 . . . . 0.0 111.266 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 m -62.73 -39.64 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.287 0.565 . . . . 0.0 110.588 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -82.97 -10.19 58.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.088 -173.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' HG2' HD13 ' B' ' 69' ' ' LEU . 18.9 ttm180 -60.09 -58.14 9.81 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.786 -172.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -34.93 74.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.118 0.485 . . . . 0.0 110.35 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.5 -48.78 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.675 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.457 HG21 HG22 ' A' ' 49' ' ' VAL . 12.4 tt -72.06 -27.8 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.672 -175.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.55 80.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 110.097 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -65.19 -43.74 90.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.769 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -56.39 -52.05 66.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.633 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.506 ' HB2' HD22 ' B' ' 34' ' ' LEU . 65.9 t80 -52.65 -53.92 40.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.928 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.92 73.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.508 -175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.464 HE21 ' HB3' ' A' ' 63' ' ' GLN . 12.9 mt-30 -63.03 -40.56 98.1 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.947 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.47 98.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.632 0.253 . . . . 0.0 110.329 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.8 tp -60.22 -42.12 94.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.807 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -14.35 60.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.237 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.1 m -87.71 -36.36 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.773 0.321 . . . . 0.0 110.553 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.3 p -86.96 0.83 54.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.229 0.538 . . . . 0.0 110.747 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.637 HD11 ' HG2' ' B' ' 54' ' ' ARG . 18.3 tp -74.61 118.16 17.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.247 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.14 109.18 13.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.333 0.587 . . . . 0.0 110.594 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 7.8 p -119.95 132.4 24.08 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.631 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 71' ' ' THR . 24.0 Cg_exo -65.41 -24.13 57.55 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.762 2.308 . . . . 0.0 111.67 176.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 71' ' ' THR . 47.7 mttm 66.78 -179.06 0.21 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.205 176.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.4 p -87.15 133.04 33.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.803 0.335 . . . . 0.0 111.477 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 30.9 m170 -85.53 146.41 26.93 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 9.6 mp 67.42 96.15 0.06 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.935 0.772 . . . . 0.0 109.906 -174.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 72.77 155.47 0.16 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.866 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -85.69 6.76 26.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.351 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.76 82.81 1.09 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.749 0.785 . . . . 0.0 109.361 172.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -81.91 38.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.789 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -136.94 167.4 21.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.376 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -80.77 79.23 7.45 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.052 -175.489 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.47 108.38 2.51 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.724 2.283 . . . . 0.0 112.486 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.1 tt -79.47 -38.33 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.031 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.62 ' HB ' ' HE3' ' A' ' 35' ' ' MET . 0.2 OUTLIER -75.29 -167.19 0.6 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -178.018 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.588 ' H ' HG22 ' B' ' 4' ' ' THR . 12.9 m -53.07 135.26 37.63 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.905 0.383 . . . . 0.0 110.985 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.47 ' N ' ' HD2' ' B' ' 6' ' ' LYS . 12.7 mptt -83.91 85.42 7.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.248 0.547 . . . . 0.0 110.992 -175.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' B' ' 5' ' ' SER . 76.8 m-85 -88.63 159.83 17.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.43 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -59.68 131.32 50.55 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -56.59 -39.87 74.27 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.943 -176.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -53.33 -47.42 69.34 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.22 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -57.01 -52.06 66.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.669 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -58.59 -55.06 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.298 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.74 -43.97 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.626 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -77.16 -27.0 53.63 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.606 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 70.5 mt -69.97 -41.39 79.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 171.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.28 -37.69 75.5 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.322 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.93 96.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.05 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.419 ' O ' HG22 ' B' ' 22' ' ' VAL . 42.9 mt-10 -63.99 -41.18 97.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.446 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.481 HG13 HG23 ' A' ' 19' ' ' VAL . 96.4 t -64.48 -42.42 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.751 177.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.51 -37.55 78.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.131 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -67.87 -34.97 77.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.642 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.419 HG22 ' O ' ' B' ' 18' ' ' GLU . 64.2 t -62.83 -40.39 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.083 0.468 . . . . 0.0 109.791 174.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 71.0 mt -66.21 -40.98 90.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.362 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.68 -41.9 82.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.244 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -72.93 3.11 5.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.976 0.417 . . . . 0.0 111.185 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -131.32 5.2 4.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.18 172.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 45.18 51.91 8.87 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 123.99 0.806 . . . . 0.0 112.122 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.522 ' HA ' HD22 ' B' ' 32' ' ' LEU . . . -57.61 117.56 4.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.216 -178.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -70.27 162.06 72.11 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.229 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.36 -51.02 11.91 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.042 2.495 . . . . 0.0 113.958 -175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -64.04 -37.87 88.99 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.522 HD22 ' HA ' ' B' ' 28' ' ' ALA . 52.5 tp -64.47 -45.43 87.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.197 176.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -54.62 -52.73 61.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.377 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.506 HD22 ' HB2' ' A' ' 61' ' ' PHE . 7.3 tt -73.71 -32.27 63.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -175.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.402 ' HG3' HG21 ' A' ' 4' ' ' THR . 1.3 ttm -62.18 -42.02 98.88 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 175.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.621 ' O ' HG12 ' B' ' 40' ' ' ILE . 36.8 mt -60.45 -44.36 96.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.593 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.87 88.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.945 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.44 -37.87 94.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.109 -0.567 . . . . 0.0 111.884 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -65.26 -41.42 94.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.621 HG12 ' O ' ' B' ' 36' ' ' ILE . 49.6 mm -53.69 -57.58 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.15 175.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.53 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.09 -49.8 74.75 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 91.4 m -53.72 -55.57 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.849 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -68.56 -38.24 80.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.361 . . . . 0.0 110.774 -173.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.12 -42.64 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.976 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 80.9 mt -65.25 -42.49 93.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.85 0.357 . . . . 0.0 111.424 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -80.15 -19.01 48.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -174.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -115.0 -60.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -86.39 -34.49 20.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -164.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.438 HG12 ' O ' ' B' ' 45' ' ' LEU . 1.2 p -87.54 163.84 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.687 -176.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.06 134.95 44.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.89 67.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.613 0.244 . . . . 0.0 111.299 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.4 m -62.99 -35.35 79.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.193 0.52 . . . . 0.0 110.572 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.51 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 6.0 tp-100 -83.93 -22.94 31.34 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.179 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.637 ' HG2' HD11 ' A' ' 69' ' ' LEU . 39.3 ttm180 -48.31 -56.34 8.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.972 -167.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.452 ' HD2' ' HA ' ' B' ' 55' ' ' LYS . 12.5 tptm -74.55 -35.35 63.09 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.092 -176.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.54 -49.38 66.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.51 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 15.8 tt -65.24 -30.42 50.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.038 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.13 -44.61 75.71 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.962 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.33 -46.56 88.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.497 ' HD3' ' HA ' ' B' ' 57' ' ' ILE . 27.7 mtpp -54.69 -47.3 73.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.369 0.604 . . . . 0.0 110.253 175.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.422 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 56.9 t80 -62.74 -51.5 66.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.306 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.5 -44.45 93.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -51.77 68.01 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.57 77.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.76 -43.68 88.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.569 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.7 mmt -69.6 -29.9 67.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.878 0.37 . . . . 0.0 110.595 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.0 t -73.74 -26.54 60.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.984 0.421 . . . . 0.0 110.065 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 39.5 m -90.61 -7.9 51.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.585 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.483 HD11 HD11 ' A' ' 45' ' ' LEU . 61.0 tp -61.79 108.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.762 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -96.57 95.59 8.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.225 0.536 . . . . 0.0 111.163 -175.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 33.9 m -107.54 133.46 20.39 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.541 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.21 130.15 27.6 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.885 2.39 . . . . 0.0 112.205 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -111.46 111.23 22.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.856 -174.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.434 ' HB ' ' OE1' ' B' ' 77' ' ' GLU . 40.2 p -69.19 147.11 51.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.012 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 179.23 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.23 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.722 HD22 ' H ' ' B' ' 76' ' ' LEU . 2.0 pt? -87.9 -16.73 33.1 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -170.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.434 ' OE1' ' HB ' ' B' ' 74' ' ' THR . 0.9 OUTLIER -78.29 -14.58 59.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.116 0.484 . . . . 0.0 110.317 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -77.09 79.34 3.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.741 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.94 146.26 50.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.876 -176.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.82 131.14 32.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.512 175.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 13.7 t60 64.48 -75.2 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.001 -173.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -161.36 9.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.368 0.604 . . . . 0.0 109.41 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.392 -176.452 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.507 ' HB3' HG12 ' A' ' 3' ' ' ILE . 68.3 mtt . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.745 0.307 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -86.41 34.48 0.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 123.017 2.478 . . . . 0.0 112.02 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.776 HG13 ' H ' ' A' ' 4' ' ' THR . 7.1 pt -79.08 -88.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.343 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.776 ' H ' HG13 ' A' ' 3' ' ' ILE . 18.4 m -86.19 129.28 34.9 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.132 0.491 . . . . 0.0 110.477 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -153.71 167.99 27.76 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -75.02 -15.43 60.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 56.95 -154.73 0.34 Allowed 'General case' 0 C--N 1.341 0.214 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.473 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 11' ' ' GLN . 15.3 t -91.09 137.15 32.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 170.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.21 -43.68 78.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -169.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.89 -12.92 61.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.485 ' O ' HD12 ' A' ' 15' ' ' ILE . 53.6 tt0 -71.0 -60.13 2.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.76 -44.05 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.578 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.11 -43.91 82.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.451 -177.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.57 -34.9 58.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.552 -174.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 11' ' ' GLN . 1.8 mp -63.98 -47.15 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.655 173.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.1 mt -59.53 -41.63 90.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.197 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.65 73.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.387 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.543 ' O ' HG21 ' A' ' 22' ' ' VAL . 37.1 mt-10 -67.06 -39.15 86.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.824 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.435 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 72.8 t -65.03 -45.52 94.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.804 0.335 . . . . 0.0 110.998 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.88 85.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 0.0 110.779 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.72 -38.26 90.45 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.044 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.543 HG21 ' O ' ' A' ' 18' ' ' GLU . 98.0 t -59.73 -42.83 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.225 0.536 . . . . 0.0 110.189 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD12 HG21 ' A' ' 33' ' ' THR . 53.6 mt -61.38 -45.96 92.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.484 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.3 -37.25 74.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.887 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.71 -35.75 80.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.33 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -95.83 2.45 53.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.907 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.63 48.04 23.39 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.577 0.548 . . . . 0.0 110.858 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.87 123.85 22.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.991 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -62.64 157.53 57.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.295 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.5 -45.88 37.84 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.659 2.24 . . . . 0.0 112.668 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.53 ' HB2' ' HA ' ' B' ' 4' ' ' THR . 8.0 pt-20 -62.91 -45.15 93.85 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.068 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' B' ' 7' ' ' TYR . 44.2 tp -60.23 -45.34 93.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.692 0.282 . . . . 0.0 110.348 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.443 HG21 HD12 ' A' ' 23' ' ' LEU . 93.9 m -56.78 -54.69 43.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.753 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.504 ' HB2' HG12 ' B' ' 44' ' ' VAL . 6.4 tt -69.95 -33.27 71.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.771 -175.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttp -64.72 -37.12 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.064 0.459 . . . . 0.0 110.36 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.589 ' O ' HG12 ' A' ' 40' ' ' ILE . 36.4 mt -59.97 -45.83 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.589 175.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.28 78.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.031 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.99 -36.45 90.97 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.097 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -68.24 -33.13 73.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 36' ' ' ILE . 51.1 mm -59.56 -52.38 61.59 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.531 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.86 -42.95 80.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.782 176.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.7 m -62.13 -42.99 99.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -60.47 -41.98 95.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.216 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 1.024 ' HA ' ' HB3' ' A' ' 48' ' ' ARG . 97.2 t -59.27 -52.85 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.931 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 38.6 mt -63.53 -14.69 53.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.546 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -90.38 -57.63 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -132.41 7.53 4.21 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.724 -168.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 1.024 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 11.9 ttt85 -133.77 23.15 3.94 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.708 -165.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.505 HG21 HG22 ' A' ' 57' ' ' ILE . 8.7 p -160.02 158.55 2.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.292 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -75.83 141.55 42.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.498 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -36.15 78.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -66.29 -15.18 63.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.139 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' OE1' ' HA ' ' A' ' 53' ' ' GLN . 1.9 tp60 -111.08 -4.88 14.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.698 -169.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.5 HH11 ' HB3' ' B' ' 72' ' ' PRO . 99.4 mtt180 -68.27 -35.75 78.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -169.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -74.47 -46.84 37.01 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.331 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.8 -49.08 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.314 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.505 HG22 HG21 ' A' ' 49' ' ' VAL . 13.8 tt -70.38 -29.4 38.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.213 -173.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.73 70.85 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.956 0.408 . . . . 0.0 110.642 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 70.3 mt-10 -68.64 -40.44 80.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.792 178.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' HE3' ' HA ' ' A' ' 57' ' ' ILE . 28.4 ttpp -56.53 -39.57 73.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.303 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.513 ' HB2' HD21 ' B' ' 34' ' ' LEU . 88.5 t80 -60.26 -54.77 41.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.754 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.74 80.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.423 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 59' ' ' GLU . 16.8 mm100 -58.16 -41.62 84.19 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.046 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.28 82.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.864 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.6 tp -64.91 -42.82 94.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.86 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -71.36 -24.65 62.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 179.364 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.3 m -73.96 -26.67 60.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.005 0.431 . . . . 0.0 110.39 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -101.14 10.15 41.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.23 0.538 . . . . 0.0 111.281 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.693 HD13 HD11 ' B' ' 45' ' ' LEU . 53.1 tp -84.77 14.94 4.22 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 -178.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 67.58 -69.38 0.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.73 -173.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.613 HG22 ' HG2' ' A' ' 73' ' ' LYS . 26.7 m 62.93 91.58 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.239 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.694 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.58 84.39 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.566 2.177 . . . . 0.0 112.664 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.71 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 11.0 mmpt? -105.34 120.54 41.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.217 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -77.74 153.67 32.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -56.12 -40.56 73.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.07 95.43 4.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.346 0.593 . . . . 0.0 109.463 171.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 79' ' ' HIS . 39.0 tt0 -98.53 -101.15 0.21 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.028 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.8 m170 66.3 -43.19 0.4 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.094 0.558 . . . . 0.0 111.829 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.427 ' H ' ' C ' ' A' ' 77' ' ' GLU . 7.0 t-160 -73.58 80.92 1.49 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -77.71 -23.33 49.5 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.026 -177.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -76.37 64.36 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.318 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 70.18 112.85 0.05 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.188 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.7 p80 . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.117 175.062 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.438 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 63.9 mtt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 8.6 Cg_exo -71.78 106.3 1.96 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.934 2.423 . . . . 0.0 113.087 -174.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 tt -67.9 141.55 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 168.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.53 ' HA ' ' HB2' ' A' ' 31' ' ' GLU . 23.2 m 69.93 90.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.806 0.812 . . . . 0.0 109.26 -172.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.7 p -85.19 160.35 19.92 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.743 -1.117 . . . . 0.0 113.298 -167.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -78.15 70.55 4.53 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.501 169.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 80.0 m-85 -48.7 159.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.581 172.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -48.94 120.12 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.501 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -52.68 -41.16 63.61 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.715 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -56.38 -39.82 73.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.441 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -66.85 -52.18 46.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.634 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.42 HG21 HD11 ' A' ' 32' ' ' LEU . 58.4 t -60.35 -45.97 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.491 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.84 -42.52 93.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -45.61 91.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.845 -176.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.43 ' O ' HG21 ' B' ' 19' ' ' VAL . 54.5 mt -64.72 -43.94 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.166 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.585 HD23 HG22 ' A' ' 36' ' ' ILE . 91.2 mt -56.69 -46.74 80.99 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 177.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -56.84 -46.36 81.77 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.97 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.491 ' O ' HG21 ' B' ' 22' ' ' VAL . 41.1 mt-10 -68.79 -41.53 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.121 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.43 HG21 ' O ' ' B' ' 15' ' ' ILE . 70.7 t -60.23 -45.44 96.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.901 0.381 . . . . 0.0 110.518 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -36.38 83.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.713 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 48.9 mt -67.66 -29.72 69.07 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.509 178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.491 HG21 ' O ' ' B' ' 18' ' ' GLU . 93.7 t -66.02 -35.44 75.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.48 0.657 . . . . 0.0 109.584 175.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.439 HD12 HG23 ' B' ' 33' ' ' THR . 79.3 mt -71.52 -46.24 60.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.229 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -27.24 68.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 86.4 tttt -63.57 -41.54 98.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.319 178.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -102.77 10.79 38.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.453 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.33 47.8 13.41 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.345 0.593 . . . . 0.0 111.011 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.59 135.59 45.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.463 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' B' ' 30' ' ' PRO . 68.2 p -69.61 163.57 58.19 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.519 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.431 ' O ' ' HB ' ' B' ' 33' ' ' THR . 10.9 Cg_endo -56.08 -42.72 63.62 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.467 2.112 . . . . 0.0 111.605 174.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.587 ' OE2' ' HB ' ' A' ' 3' ' ' ILE . 5.2 mm-40 -62.84 -48.6 78.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.07 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.62 ' O ' HG12 ' B' ' 36' ' ' ILE . 55.0 tp -59.2 -43.43 92.25 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.439 HG23 HD12 ' B' ' 23' ' ' LEU . 54.4 m -51.71 -55.7 18.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.255 176.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 61' ' ' PHE . 8.2 tt -68.92 -33.96 74.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.804 -176.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.3 ttp -68.2 -34.01 75.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.417 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.62 HG12 ' O ' ' B' ' 32' ' ' LEU . 24.9 mm -61.92 -44.55 99.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 174.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.8 -41.71 78.24 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.414 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.0 -46.84 93.77 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.924 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.85 -36.03 80.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 111.065 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.511 ' O ' HG23 ' B' ' 44' ' ' VAL . 81.5 mt -60.27 -55.45 24.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.29 -39.52 79.52 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.562 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.4 m -55.53 -54.35 45.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -58.73 -42.49 88.86 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.028 0.442 . . . . 0.0 110.318 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.622 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 42.1 t -61.58 -41.49 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.98 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 69' ' ' LEU . 97.4 mt -76.85 -4.09 41.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.518 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -99.47 -61.97 1.3 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.924 0.392 . . . . 0.0 110.716 175.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -104.14 -39.66 6.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.243 -171.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.622 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 46.8 mtt180 -90.08 17.48 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -170.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.48 HG21 HG21 ' B' ' 57' ' ' ILE . 4.4 p -139.96 158.65 26.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.523 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 147.25 28.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.564 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.31 -41.25 84.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.572 0.225 . . . . 0.0 111.225 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 26.5 t -66.73 -23.34 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.792 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.404 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.9 tp-100 -95.13 -19.32 20.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 -176.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.1 ttm-85 -53.3 -56.18 18.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.35 -169.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.462 ' HE2' ' HB2' ' B' ' 59' ' ' GLU . 11.3 tptm -67.33 -44.22 79.66 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.904 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.98 -51.39 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.391 -175.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.48 HG21 HG21 ' B' ' 49' ' ' VAL . 16.0 tt -67.82 -31.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.022 -176.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.61 67.94 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.891 0.377 . . . . 0.0 110.703 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.462 ' HB2' ' HE2' ' B' ' 55' ' ' LYS . 35.4 tt0 -63.7 -50.33 69.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.834 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -58.61 -39.42 80.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.133 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -59.4 -47.82 83.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.008 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.48 -48.75 80.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.443 . . . . 0.0 110.579 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.77 -39.11 87.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.442 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.57 78.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.262 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 38.6 tp -61.28 -43.3 99.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.028 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -21.47 61.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.519 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -81.41 -34.39 31.59 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.9 t -72.03 -31.84 66.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.875 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.488 HD13 HD13 ' A' ' 45' ' ' LEU . 6.1 tp -59.76 118.75 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.999 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -102.46 144.28 31.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 9.0 t -48.64 135.23 13.42 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.644 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.5 ' HB3' HH11 ' A' ' 54' ' ' ARG . 74.5 Cg_endo -74.15 35.7 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.493 2.795 . . . . 0.0 113.833 -174.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.42 -52.58 21.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 17.7 p 44.0 77.67 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.308 0.643 . . . . 0.0 112.498 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -117.17 111.11 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.603 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.8 mt 57.68 77.08 0.29 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.851 0.719 . . . . 0.0 111.832 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.63 113.61 20.97 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -161.32 124.24 3.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.772 -175.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -62.4 137.37 58.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.012 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -90.95 -23.8 20.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -77.25 113.78 15.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.393 172.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -57.96 -62.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.373 0.421 . . . . 0.0 111.494 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.1 t60 . . . . . 0 C--O 1.244 0.769 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.607 -179.429 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.65 -29.94 42.81 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.714 2.276 . . . . 0.0 112.568 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.52 HD13 ' HD2' ' A' ' 60' ' ' LYS . 1.6 mm -77.95 115.05 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.669 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.827 HG21 ' HB3' ' B' ' 31' ' ' GLU . 96.9 m 74.11 -40.27 0.45 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.987 -1.006 . . . . 0.0 113.357 168.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' HA ' ' HE2' ' B' ' 35' ' ' MET . 37.2 t -87.32 99.91 12.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.36 0.6 . . . . 0.0 111.868 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -136.28 19.97 3.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.779 170.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.404 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 58.7 m-85 -92.58 -175.19 3.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.242 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -79.98 132.26 35.99 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.782 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -60.33 -37.84 81.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.068 0.461 . . . . 0.0 110.561 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.8 -47.0 87.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.768 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 15' ' ' ILE . 34.0 mt-30 -63.63 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.884 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.57 -50.39 80.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.8 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -69.08 -27.08 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.16 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.32 -43.92 59.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.517 0.199 . . . . 0.0 110.854 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 11' ' ' GLN . 76.1 mt -65.07 -44.62 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.31 -41.64 80.27 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.983 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.11 70.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' O ' HG21 ' A' ' 22' ' ' VAL . 44.7 mt-10 -63.94 -42.32 97.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.27 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.48 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 74.3 t -63.26 -49.76 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 110.982 178.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.58 -31.68 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.943 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.08 -44.27 89.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.41 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 18' ' ' GLU . 88.2 t -60.94 -41.02 87.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.025 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD13 HG23 ' A' ' 33' ' ' THR . 73.3 mt -63.21 -49.34 74.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.556 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.72 -44.03 97.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.662 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.41 -33.73 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.119 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -88.02 5.69 39.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.152 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.91 37.77 21.41 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.607 0.567 . . . . 0.0 111.317 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HA ' HD21 ' A' ' 32' ' ' LEU . . . -64.99 117.72 8.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.235 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.524 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 16.0 m -76.69 162.91 68.8 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.418 176.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 4.6 Cg_endo -46.16 -50.13 10.44 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.373 2.715 . . . . 0.0 113.259 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.535 ' HB2' ' OH ' ' B' ' 7' ' ' TYR . 4.3 mm-40 -54.93 -50.85 67.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.553 ' O ' HG12 ' A' ' 36' ' ' ILE . 46.0 tp -64.09 -39.8 94.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.707 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.5 HG23 HD13 ' A' ' 23' ' ' LEU . 35.0 m -59.78 -46.54 88.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.83 -178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.412 HD23 HG12 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -70.44 -34.42 72.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.486 178.449 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -58.05 -43.38 86.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.931 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 32' ' ' LEU . 43.8 mm -58.28 -51.37 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.218 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.58 87.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.317 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.64 -44.04 95.87 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.692 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -63.53 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.889 -0.183 . . . . 0.0 110.892 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 36' ' ' ILE . 92.9 mt -56.67 -58.93 3.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.077 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.06 86.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.152 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -58.07 -51.6 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.109 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -60.77 -40.81 93.92 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.041 0.448 . . . . 0.0 110.602 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 40' ' ' ILE . 86.6 t -62.14 -47.31 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.608 HD23 ' HB3' ' A' ' 58' ' ' ALA . 7.2 mp -71.05 -13.26 61.92 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.804 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.69 -47.12 10.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.805 0.336 . . . . 0.0 111.084 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -115.6 -44.67 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -172.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -90.35 -8.21 51.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -164.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 1.4 p -110.74 162.29 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.484 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.96 139.43 42.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.581 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.59 -47.19 40.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.344 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 p -78.8 -20.92 48.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.63 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.685 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.46 -22.64 47.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.499 179.679 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.556 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 13.5 mtm180 -50.63 -54.31 23.84 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -173.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -63.69 -41.83 98.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.939 0.399 . . . . 0.0 110.434 -175.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.34 -50.68 29.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.684 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.515 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 9.4 tt -66.54 -33.29 62.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.529 0.204 . . . . 0.0 111.109 -174.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.608 ' HB3' HD23 ' A' ' 45' ' ' LEU . . . -68.11 -47.62 67.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.205 0.526 . . . . 0.0 110.561 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.62 -40.35 88.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.057 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HD2' HD13 ' A' ' 3' ' ' ILE . 37.8 ttpt -56.75 -48.1 78.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.304 175.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.788 ' HE2' ' HE1' ' B' ' 61' ' ' PHE . 90.4 t80 -61.83 -46.88 87.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.167 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.6 99.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.112 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.73 -34.87 77.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.63 -32.41 73.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 110.79 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.4 tp -73.84 -31.51 63.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.418 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.7 mmt -81.67 -20.88 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.372 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 p -88.08 -24.07 23.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.905 0.384 . . . . 0.0 110.629 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.2 p -92.71 5.35 51.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.269 0.556 . . . . 0.0 109.915 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.679 HD12 ' HG2' ' B' ' 54' ' ' ARG . 52.3 tp -75.82 97.87 4.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.551 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.99 101.48 8.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.319 0.58 . . . . 0.0 111.293 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.542 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 5.6 p -78.5 166.63 41.45 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.801 173.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.91 102.69 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.565 2.176 . . . . 0.0 112.541 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 71' ' ' THR . 34.2 mmtp -98.26 92.25 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.728 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.2 p -79.22 -50.4 11.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.7 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -83.84 -31.88 25.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.4 mp -87.3 93.75 9.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.172 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -85.21 101.29 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.584 0.707 . . . . 0.0 110.712 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -86.81 54.88 3.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.941 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -85.05 71.7 10.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -94.98 111.53 23.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -86.71 108.36 18.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.783 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -112.35 -25.54 9.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 168.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.252 176.623 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -76.6 83.84 1.99 Allowed 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.388 2.059 . . . . 0.0 111.636 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.3 tt -84.05 -44.96 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.262 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.422 HG23 ' HB3' ' A' ' 31' ' ' GLU . 4.8 m -154.1 159.36 41.46 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -52.7 131.19 34.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.111 0.481 . . . . 0.0 111.178 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -81.23 89.19 6.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.276 0.56 . . . . 0.0 111.829 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.535 ' OH ' ' HB2' ' A' ' 31' ' ' GLU . 55.0 m-85 -79.4 -172.83 3.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.761 168.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.12 123.74 23.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 110.849 175.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.3 -41.42 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.513 -176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 46.6 mt-10 -67.02 -40.34 87.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.492 ' O ' HG13 ' B' ' 15' ' ' ILE . 6.1 tp-100 -57.07 -46.44 82.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.017 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.405 HG23 ' CD1' ' A' ' 32' ' ' LEU . 59.1 t -57.7 -47.41 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.426 178.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.06 -38.44 91.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.332 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 74.8 mmtt -66.14 -46.24 78.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.689 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 11' ' ' GLN . 67.6 mt -60.06 -43.06 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.437 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.402 HD21 HG21 ' A' ' 36' ' ' ILE . 93.1 mt -56.44 -43.28 79.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.0 90.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.419 ' O ' HG21 ' B' ' 22' ' ' VAL . 45.5 mt-10 -66.54 -42.45 87.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.087 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.416 HG11 HD11 ' A' ' 40' ' ' ILE . 72.4 t -62.77 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.757 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.17 -32.93 74.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 tp -66.61 -37.66 85.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.951 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.419 HG21 ' O ' ' B' ' 18' ' ' GLU . 66.7 t -59.77 -42.3 88.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.33 0.586 . . . . 0.0 109.69 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.5 HD11 HG23 ' B' ' 33' ' ' THR . 48.7 mt -65.95 -41.87 90.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.161 177.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.68 -53.78 45.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.23 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -61.23 -27.22 68.28 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -95.06 2.56 55.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.294 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 53.26 47.43 24.34 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.492 0.495 . . . . 0.0 111.716 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.73 139.39 56.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.562 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -86.89 161.37 47.45 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.001 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.29 -51.32 9.69 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.306 2.671 . . . . 0.0 113.824 -177.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.827 ' HB3' HG21 ' A' ' 4' ' ' THR . 29.7 mm-40 -57.86 -50.71 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.928 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.537 ' O ' HG12 ' B' ' 36' ' ' ILE . 42.9 tp -59.32 -34.52 72.43 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.758 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.5 HG23 HD11 ' B' ' 23' ' ' LEU . 56.0 m -61.36 -50.8 71.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.994 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.44 -26.14 61.72 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.983 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.411 ' HE2' ' HA ' ' A' ' 5' ' ' SER . 37.8 ttm -59.8 -42.58 93.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.537 HG12 ' O ' ' B' ' 32' ' ' LEU . 47.6 mm -61.22 -50.72 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.362 176.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 -49.37 77.33 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.405 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.21 -50.75 54.64 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.233 -0.508 . . . . 0.0 113.072 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.54 -35.21 73.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.856 0.328 . . . . 0.0 111.247 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 36' ' ' ILE . 65.0 mt -59.14 -53.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 175.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.598 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -60.34 -48.1 83.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.978 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.2 m -58.33 -42.04 85.92 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.556 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.06 -40.7 96.86 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.605 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.557 ' HA ' ' O ' ' B' ' 47' ' ' GLN . 62.7 t -71.28 -34.17 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.821 0.343 . . . . 0.0 110.709 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.8 mt -61.85 -29.57 70.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.226 175.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.465 ' N ' HD21 ' B' ' 46' ' ' ASN . 0.9 OUTLIER -86.86 -46.19 10.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.292 0.567 . . . . 0.0 110.277 176.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.557 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 45.3 mt-30 -124.51 126.79 46.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.508 -175.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.549 ' HB2' ' O ' ' B' ' 47' ' ' GLN . 58.0 mtm180 94.72 14.19 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.864 1.265 . . . . 0.0 112.088 175.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.502 HG23 HG21 ' B' ' 57' ' ' ILE . 1.4 p -140.48 153.69 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.317 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.37 147.25 38.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.18 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.12 75.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.726 0.298 . . . . 0.0 111.172 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.2 p -69.12 -42.84 75.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.0 110.707 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.808 ' HA ' HE21 ' B' ' 53' ' ' GLN . 0.0 OUTLIER -66.98 -26.86 67.02 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.601 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.679 ' HG2' HD12 ' A' ' 69' ' ' LEU . 33.0 ttm180 -49.06 -53.79 18.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.717 -172.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmpt? -69.45 -41.36 76.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.912 0.387 . . . . 0.0 110.401 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.58 -45.87 74.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.687 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.502 HG21 HG23 ' B' ' 49' ' ' VAL . 15.4 tt -70.17 -31.91 49.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.711 -176.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.55 73.41 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.07 0.462 . . . . 0.0 110.232 175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -72.44 -39.86 67.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.113 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -54.61 -47.62 73.18 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.159 172.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.788 ' HE1' ' HE2' ' A' ' 61' ' ' PHE . 52.7 t80 -54.78 -54.35 43.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.62 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.542 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -62.15 -46.26 89.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.416 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.59 -46.45 85.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.6 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.83 89.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.37 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.31 -42.21 98.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.867 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 17.7 mmt -76.71 -20.15 56.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.335 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 58.4 m -82.87 -23.83 33.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.595 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.7 p -94.32 -3.82 49.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.241 0.543 . . . . 0.0 110.188 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.44 HD12 HD21 ' A' ' 45' ' ' LEU . 51.1 tp -75.18 112.49 11.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.886 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.34 114.1 20.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.441 0.638 . . . . 0.0 110.591 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 11.3 m -97.86 134.61 22.1 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.727 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -55.09 -30.78 72.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.983 2.456 . . . . 0.0 112.719 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.402 ' HB3' ' H ' ' B' ' 74' ' ' THR . 28.1 mtpp 60.05 -154.85 0.36 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.278 177.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.402 ' H ' ' HB3' ' B' ' 73' ' ' LYS . 4.5 p -82.01 21.54 0.87 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.957 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -80.37 -8.37 59.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.097 0.475 . . . . 0.0 109.784 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.43 ' O ' HD13 ' B' ' 76' ' ' LEU . 3.2 pp -63.21 142.78 58.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.2 176.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -97.69 127.79 43.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.036 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -94.57 84.21 4.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.733 0.778 . . . . 0.0 109.599 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -102.39 -31.24 10.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.355 -174.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -84.01 108.84 17.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.6 0.714 . . . . 0.0 109.878 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -124.5 -21.81 4.8 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.923 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.97 -28.27 0.69 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.396 0.617 . . . . 0.0 109.702 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.095 -0.955 . . . . 0.0 108.901 172.606 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.96 -174.11 2.11 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.63 2.22 . . . . 0.0 112.246 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.422 HD12 ' HE3' ' A' ' 60' ' ' LYS . 45.2 pt -72.24 -24.12 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.16 0.505 . . . . 0.0 110.674 177.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 m -75.48 103.41 5.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.843 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 m -76.39 147.69 37.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.662 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -88.74 -14.35 37.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.688 -177.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 92.7 m-85 61.48 -169.21 0.17 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.571 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.495 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 23.6 p -75.12 131.59 40.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -58.68 -46.77 86.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -171.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.495 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -57.64 -48.01 80.64 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 123.224 0.328 . . . . 0.0 110.472 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.509 ' O ' HG13 ' A' ' 15' ' ' ILE . 8.4 tt0 -53.58 -55.08 28.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.04 -45.84 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.989 0.423 . . . . 0.0 111.104 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -69.13 -35.29 76.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.02 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 5.9 mptp? -71.03 -40.03 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 11' ' ' GLN . 82.1 mt -62.4 -41.32 91.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.71 -40.13 86.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.655 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.36 87.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 48.2 mt-10 -64.81 -45.09 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.197 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' O ' HD13 ' A' ' 23' ' ' LEU . 98.8 t -61.72 -45.07 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.25 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.036 0.446 . . . . 0.0 111.021 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -64.83 -34.96 79.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.104 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 18' ' ' GLU . 85.3 t -68.87 -39.37 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.297 0.57 . . . . 0.0 109.969 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 19' ' ' VAL . 3.9 mp -60.7 -49.0 79.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.134 176.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.07 -39.78 93.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.576 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -54.15 -42.14 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.837 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' HE2' ' CD ' ' B' ' 18' ' ' GLU . 71.5 m-70 -105.32 7.5 33.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.533 -177.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.67 47.37 10.64 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.135 0.493 . . . . 0.0 111.134 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.57 121.34 15.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.284 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.508 ' OG ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 t -77.04 152.59 82.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.817 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HD2' ' OG ' ' A' ' 29' ' ' SER . 1.6 Cg_endo -45.82 -40.71 19.79 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.93 3.087 . . . . 0.0 114.128 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.22 -45.64 92.51 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.301 0.572 . . . . 0.0 109.702 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HA ' ' HE2' ' A' ' 35' ' ' MET . 65.0 tp -64.8 -37.42 87.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.112 178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 m -56.29 -52.81 63.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.254 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.4 -23.82 57.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.964 0.411 . . . . 0.0 110.248 -177.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.523 ' HE2' ' HA ' ' A' ' 32' ' ' LEU . 23.8 ttm -62.72 -48.06 80.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.261 0.553 . . . . 0.0 109.741 173.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.5 mt -60.25 -40.87 85.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.096 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.55 79.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.951 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.43 -37.56 79.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.123 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -62.04 -42.87 99.64 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.481 ' O ' HG21 ' A' ' 44' ' ' VAL . 85.4 mt -58.42 -56.06 18.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.398 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.653 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -54.04 -52.83 59.61 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.424 -177.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.2 m -59.88 -45.72 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.418 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -64.1 -36.67 84.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.808 0.337 . . . . 0.0 110.807 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 40' ' ' ILE . 83.2 t -64.6 -42.0 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 175.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 76.6 mt -62.59 -33.6 75.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.539 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -72.24 -56.11 6.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.247 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -100.95 -39.59 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -165.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 48' ' ' ARG . 48.6 mtt180 -108.04 19.48 19.94 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -164.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.487 HG23 HG23 ' A' ' 57' ' ' ILE . 3.1 p -144.27 158.96 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.245 176.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.17 144.48 48.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.94 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.94 -44.65 70.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.688 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.4 m -73.43 -20.0 60.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.368 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.884 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -85.76 -19.41 30.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.366 -178.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.79 ' HB3' HD12 ' B' ' 69' ' ' LEU . 88.0 mtt180 -51.94 -47.03 64.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.995 -175.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.719 ' HA ' HD21 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -60.82 -54.84 40.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.4 -52.79 63.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.814 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.487 HG23 HG23 ' A' ' 49' ' ' VAL . 11.6 tt -69.76 -24.65 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.383 -171.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.74 -42.95 57.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 110.646 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 55' ' ' LYS . 42.1 mt-10 -71.17 -33.02 69.62 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' HE3' HD12 ' A' ' 3' ' ' ILE . 49.7 tttm -53.43 -42.05 66.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.165 172.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.471 ' HB2' HD23 ' B' ' 34' ' ' LEU . 80.7 t80 -64.18 -53.21 52.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.784 176.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 66' ' ' MET . . . -62.8 -42.97 99.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.049 -174.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.54 -37.73 85.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.69 0.281 . . . . 0.0 110.792 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.39 82.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.014 0.435 . . . . 0.0 110.111 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.4 tp -63.98 -41.11 97.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.795 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -65.81 -28.92 69.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.672 -178.59 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 m -85.71 -25.38 26.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.844 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -89.08 5.59 43.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.386 0.612 . . . . 0.0 110.449 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt -80.88 109.65 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.382 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -100.31 158.2 16.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.215 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.7 m -136.77 101.43 9.65 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.884 0.374 . . . . 0.0 110.694 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -81.03 117.03 3.17 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.532 2.821 . . . . 0.0 111.394 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -86.41 170.24 12.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.2 p -93.44 -52.95 4.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.883 0.373 . . . . 0.0 111.407 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -130.7 168.04 17.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 tp -92.36 157.38 16.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.121 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.48 159.38 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.084 0.468 . . . . 0.0 111.676 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -76.89 112.33 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.756 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.426 ' HD2' ' HD2' ' A' ' 80' ' ' HIS . 27.0 p-80 -81.82 -28.03 33.32 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.307 172.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.426 ' HD2' ' HD2' ' A' ' 79' ' ' HIS . 79.4 m-70 -150.07 174.97 12.16 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.237 171.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -84.68 106.29 16.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -135.75 12.4 3.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.442 0.639 . . . . 0.0 109.57 171.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.585 177.845 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -70.31 117.68 5.25 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.149 1.899 . . . . 0.0 111.639 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -62.83 -35.64 71.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.065 0.46 . . . . 0.0 110.616 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m -99.22 99.54 10.52 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.328 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -69.79 155.86 39.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.259 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.876 ' HB3' ' HZ1' ' B' ' 6' ' ' LYS . 4.9 mmmp? -77.28 -24.08 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.027 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 59.38 -160.61 0.28 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.842 0.714 . . . . 0.0 110.272 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.9 t -76.28 117.94 18.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.164 0.507 . . . . 0.0 110.166 174.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.99 -20.51 66.53 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.637 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.36 -42.53 99.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.008 0.432 . . . . 0.0 110.31 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.423 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.5 tt0 -67.51 -48.06 68.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.033 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 46.2 t -63.63 -52.81 52.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.396 -177.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.63 -40.71 92.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.36 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -67.36 -46.35 73.62 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.17 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.423 HG13 ' O ' ' B' ' 11' ' ' GLN . 74.2 mt -60.79 -41.49 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.537 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 90.6 mt -56.94 -44.31 82.37 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 177.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.91 95.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.011 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.3 mt-10 -61.27 -52.15 65.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.755 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 92.3 t -59.18 -49.4 83.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.52 79.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.254 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -67.52 -41.46 84.37 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 18' ' ' GLU . 91.9 t -60.99 -42.76 94.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.352 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 66.6 mt -61.73 -46.68 88.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.625 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.22 -30.5 66.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.519 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.58 -35.07 78.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.612 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -96.47 7.99 45.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.74 46.3 9.16 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.613 0.571 . . . . 0.0 111.223 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.526 ' HA ' HD22 ' B' ' 32' ' ' LEU . . . -69.64 120.02 14.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.214 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.486 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 23.9 m -68.75 160.63 76.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.946 175.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.486 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 6.4 Cg_endo -49.19 -50.0 13.97 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.303 2.669 . . . . 0.0 113.226 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.44 -46.46 88.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.246 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.527 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 56.1 tp -60.24 -45.14 94.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.345 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 96.9 m -57.23 -52.9 63.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.138 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' A' ' 61' ' ' PHE . 5.9 tt -70.38 -31.17 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.656 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.2 ttp -66.23 -36.74 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 0.0 110.317 175.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.417 ' O ' HG13 ' B' ' 40' ' ' ILE . 33.5 mt -62.89 -43.38 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.551 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.03 83.31 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 110.127 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.11 -44.52 95.64 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.045 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -56.61 -45.61 81.37 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 110.491 177.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.432 ' O ' HG23 ' B' ' 44' ' ' VAL . 87.7 mt -54.9 -57.81 5.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.523 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.83 -43.49 85.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.299 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 76.6 m -58.52 -54.33 48.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.361 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -64.15 -34.07 77.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.607 0.241 . . . . 0.0 111.214 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.432 HG23 ' O ' ' B' ' 40' ' ' ILE . 75.5 t -68.93 -46.46 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.661 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.6 mt -64.8 -37.25 86.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.773 0.321 . . . . 0.0 111.575 -178.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -84.06 -23.65 30.74 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -124.02 -50.1 1.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -84.42 -42.76 15.33 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -170.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.496 HG23 HG23 ' B' ' 57' ' ' ILE . 4.2 p -77.45 155.23 5.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.919 0.39 . . . . 0.0 111.51 -172.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.05 129.81 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.789 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.69 -47.88 50.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.258 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.5 m -72.3 -12.12 61.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.87 0.367 . . . . 0.0 111.751 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -106.95 -4.57 18.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.356 0.598 . . . . 0.0 109.673 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -62.36 -53.4 55.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.913 -169.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -67.09 -41.16 86.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.381 0.61 . . . . 0.0 110.361 -175.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 90.5 mt -69.82 -50.78 39.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.686 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.496 HG23 HG23 ' B' ' 49' ' ' VAL . 11.1 tt -67.09 -30.12 48.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.023 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.53 86.17 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.203 0.525 . . . . 0.0 110.172 176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.39 -44.05 72.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.232 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 66.7 mttm -58.05 -42.11 84.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.833 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.44 -47.59 81.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.024 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.9 96.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.766 0.317 . . . . 0.0 110.434 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.52 -47.85 83.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.409 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.72 89.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.769 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 19.7 tp -64.33 -47.17 80.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.257 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.464 ' HE3' ' N ' ' B' ' 66' ' ' MET . 0.0 OUTLIER -65.64 -30.41 71.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 110.975 177.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -76.15 -17.94 59.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.8 m -99.38 5.89 46.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.458 0.647 . . . . 0.0 110.236 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.79 HD12 ' HB3' ' A' ' 54' ' ' ARG . 35.3 tp -87.81 104.46 16.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.077 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -47.92 -61.78 1.79 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.137 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.414 ' C ' ' H ' ' B' ' 73' ' ' LYS . 30.1 m 72.0 131.12 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 123.32 0.388 . . . . 0.0 110.788 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -70.38 34.96 0.24 Allowed 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.299 2.666 . . . . 0.0 114.199 -175.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.414 ' H ' ' C ' ' B' ' 71' ' ' THR . 1.0 OUTLIER -134.77 -0.38 2.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.961 0.41 . . . . 0.0 111.125 177.458 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.3 p -92.58 -32.44 14.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.585 0.707 . . . . 0.0 109.323 171.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -97.11 83.19 3.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.931 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -121.24 -170.35 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.701 0.286 . . . . 0.0 111.087 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.456 ' HB2' ' H ' ' B' ' 78' ' ' HIS . 2.3 mt-10 -84.79 -78.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.471 0.653 . . . . 0.0 109.84 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . 0.456 ' H ' ' HB2' ' B' ' 77' ' ' GLU . 45.2 m-70 -138.75 73.79 1.45 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.644 178.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -71.03 101.08 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.989 -174.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -119.17 140.18 50.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.753 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -103.8 109.78 21.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.953 0.406 . . . . 0.0 110.817 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 68.3 t60 45.96 79.67 0.05 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.396 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.229 175.634 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' HB3' ' CD ' ' A' ' 2' ' ' PRO . 27.8 ttt . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 119.572 -0.251 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.451 ' CD ' ' HB3' ' A' ' 1' ' ' MET . 36.9 Cg_endo -66.94 137.04 43.46 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.469 1.446 . . . . 0.0 111.263 173.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 pt -88.91 171.18 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.658 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 m 71.72 91.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.538 0.524 . . . . 0.0 111.078 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -84.23 174.83 9.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.244 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -92.7 -23.92 18.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.791 0.329 . . . . 0.0 110.476 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 65.3 -170.19 0.2 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.365 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.7 m -76.72 119.6 20.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.937 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -39.33 60.37 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.831 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -54.86 -51.68 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.58 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.566 ' O ' HG13 ' A' ' 15' ' ' ILE . 9.4 tt0 -55.26 -54.16 47.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.446 HG21 HD13 ' B' ' 32' ' ' LEU . 85.7 t -55.89 -52.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.078 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.6 -47.09 85.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.936 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 2.6 mptp? -70.12 -31.9 69.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.629 -175.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 11' ' ' GLN . 67.7 mt -68.66 -37.7 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.066 0.46 . . . . 0.0 109.907 175.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.436 HD23 HG22 ' B' ' 36' ' ' ILE . 82.0 mt -60.7 -40.83 93.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.576 176.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.469 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -59.98 -38.89 83.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.826 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 5.8 mm-40 -59.85 -52.58 64.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.294 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 48.1 t -62.07 -39.91 85.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.792 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.66 -36.85 74.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 84.9 mt -70.17 -33.36 71.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.698 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.9 -40.32 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 74.4 mt -67.99 -32.31 72.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.464 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.96 -54.06 21.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.025 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -64.84 -23.08 67.12 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.53 ' CG ' HG12 ' B' ' 15' ' ' ILE . 89.6 m-70 -100.16 -5.32 27.94 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.356 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.5 46.94 23.87 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.468 0.48 . . . . 0.0 110.945 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.85 129.29 39.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.046 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -67.25 161.15 66.62 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.473 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.37 -55.96 2.92 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.969 2.446 . . . . 0.0 113.625 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.485 ' HG2' HD13 ' B' ' 57' ' ' ILE . 33.0 mt-10 -61.27 -40.57 94.58 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.669 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 36' ' ' ILE . 63.7 tp -57.29 -48.88 77.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.009 0.433 . . . . 0.0 110.097 175.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 HG23 HD13 ' A' ' 23' ' ' LEU . 85.6 m -53.57 -50.88 64.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.362 177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.34 -34.89 70.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.852 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.9 ttp -64.94 -34.73 79.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.527 HG23 HD23 ' B' ' 16' ' ' LEU . 63.6 mt -60.92 -45.14 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.212 174.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.31 87.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 110.475 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.32 -39.93 96.21 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.459 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -63.93 -38.31 90.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.2 mt -56.59 -56.55 13.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.364 173.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.75 -42.25 88.43 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.995 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -58.71 -46.72 86.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -60.24 -39.38 86.49 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.597 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 40' ' ' ILE . 58.3 t -62.8 -43.82 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.0 109.87 175.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 65.5 mt -66.49 -21.25 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.132 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -82.79 -54.35 5.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.691 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -122.15 -7.8 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -168.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 75.7 mtp180 -126.86 27.74 5.95 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.582 -169.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.443 HG21 ' H ' ' A' ' 50' ' ' ALA . 4.8 p -153.63 167.29 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 177.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' H ' HG21 ' A' ' 49' ' ' VAL . . . -89.73 156.66 18.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.827 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.57 -53.31 59.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.733 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -65.03 -27.91 69.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.431 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 5.2 tp60 -82.48 -15.49 52.28 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.405 -174.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.43 ' NH1' ' HG3' ' B' ' 70' ' ' GLU . 15.4 mtm180 -58.11 -56.94 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.56 ' HA ' HD22 ' B' ' 69' ' ' LEU . 18.1 tptm -65.74 -38.84 90.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.784 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.28 -49.18 67.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.625 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.6 tt -73.51 -31.21 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.725 0.297 . . . . 0.0 110.973 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.45 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 110.254 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.93 -39.22 76.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.814 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -59.78 -43.94 94.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.009 0.433 . . . . 0.0 109.914 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.497 ' HE2' ' CE2' ' B' ' 61' ' ' PHE . 66.1 t80 -57.11 -53.9 52.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.631 177.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.56 -43.0 93.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.32 -46.75 88.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.633 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.82 92.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.15 -38.61 85.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.506 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 32.3 mmt -67.35 -28.4 67.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.093 0.473 . . . . 0.0 110.1 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.8 t -70.71 -47.33 60.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.694 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.9 m -83.87 -3.96 58.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.452 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 HD22 ' HG2' ' B' ' 55' ' ' LYS . 16.2 tp -62.78 105.46 0.66 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.247 174.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.647 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 32.3 mt-10 -68.22 121.17 15.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.991 0.424 . . . . 0.0 110.82 177.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.9 m -103.11 81.96 0.45 Allowed Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 167.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.647 ' HD3' ' O ' ' A' ' 70' ' ' GLU . 2.8 Cg_exo -75.85 118.49 5.07 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.942 2.428 . . . . 0.0 112.005 -173.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -104.98 15.14 28.24 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.895 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -114.0 94.25 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.635 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -134.52 42.31 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.9 mt -129.5 -79.31 0.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.191 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -108.86 -174.34 2.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.783 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -120.13 89.61 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.399 . . . . 0.0 111.274 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -162.46 136.71 6.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.412 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -76.42 -32.72 58.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.809 -175.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -105.47 179.57 4.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.866 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -71.82 145.7 48.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.638 0.256 . . . . 0.0 110.425 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.607 179.45 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.706 ' HB3' ' HD3' ' B' ' 2' ' ' PRO . 25.7 ttt . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' B' ' 1' ' ' MET . 32.1 Cg_exo -59.21 109.06 0.48 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.239 1.959 . . . . 0.0 112.732 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 tp -121.09 133.88 66.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 174.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 12.2 m -60.68 104.54 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.424 0.63 . . . . 0.0 110.913 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -113.75 174.16 6.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.911 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.91 -21.0 63.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.476 ' OH ' ' HB2' ' A' ' 31' ' ' GLU . 67.7 m-85 57.93 -151.49 0.42 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.41 ' H ' ' HB3' ' B' ' 7' ' ' TYR . 57.9 m -83.55 103.81 13.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 168.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -53.45 -36.79 61.97 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.383 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -54.21 -51.7 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.201 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.619 ' O ' HG13 ' B' ' 15' ' ' ILE . 29.5 tt0 -63.37 -44.31 95.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.204 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.12 -51.09 58.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -52.0 -53.76 37.86 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 123.434 0.459 . . . . 0.0 111.575 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.578 ' HD2' ' N ' ' B' ' 14' ' ' LYS . 7.3 mptt -68.41 -32.58 72.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.004 -170.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.619 HG13 ' O ' ' B' ' 11' ' ' GLN . 55.5 mt -66.11 -53.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.527 HD23 HG23 ' A' ' 36' ' ' ILE . 91.8 mt -56.77 -41.61 77.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.027 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.26 85.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.109 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.408 ' O ' HG21 ' B' ' 22' ' ' VAL . 41.9 mt-10 -76.67 -35.13 58.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.104 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.523 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 86.3 t -62.2 -45.33 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 110.327 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.81 -32.78 74.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.558 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.87 -42.04 90.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.753 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.408 HG21 ' O ' ' B' ' 18' ' ' GLU . 72.9 t -61.2 -43.55 96.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 71.9 mt -61.5 -38.1 86.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.268 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -68.86 -46.18 69.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.705 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -56.33 -45.45 80.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.656 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -91.28 7.91 38.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.663 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.14 47.8 22.41 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.141 0.496 . . . . 0.0 111.624 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.514 ' HA ' HD21 ' B' ' 32' ' ' LEU . . . -73.53 118.16 16.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.392 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -66.85 163.3 44.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.571 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.64 -52.9 7.82 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.933 2.422 . . . . 0.0 113.65 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -68.81 -34.34 75.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.615 0.245 . . . . 0.0 110.747 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' B' ' 28' ' ' ALA . 63.1 tp -64.04 -42.9 96.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.235 0.541 . . . . 0.0 109.742 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 53.3 m -57.67 -47.02 83.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.849 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.18 -33.93 70.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.704 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.1 ttm -62.1 -45.58 92.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.119 0.485 . . . . 0.0 109.937 175.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.591 ' O ' HG12 ' B' ' 40' ' ' ILE . 32.4 mt -58.03 -40.86 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.37 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.55 78.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.01 0.433 . . . . 0.0 110.407 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.02 -39.92 94.99 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.708 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -59.83 -41.6 91.72 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.591 HG12 ' O ' ' B' ' 36' ' ' ILE . 46.2 mm -59.38 -56.74 15.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.433 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.11 -39.25 74.72 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.116 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -61.24 -47.63 85.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.713 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -63.06 -36.51 83.82 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.918 0.39 . . . . 0.0 110.784 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.444 HG22 ' O ' ' B' ' 40' ' ' ILE . 67.4 t -61.01 -47.07 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.85 174.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 92.4 mt -65.67 -29.7 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.329 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -70.02 -51.04 35.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.511 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -122.0 -45.55 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -169.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 48' ' ' ARG . 52.6 mtt180 -93.49 43.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -167.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.501 HG12 ' HE ' ' B' ' 54' ' ' ARG . 9.8 p -159.18 150.0 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.932 0.396 . . . . 0.0 111.047 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.7 153.1 33.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.33 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.701 0.286 . . . . 0.0 111.691 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 m -65.76 -26.61 67.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.047 0.451 . . . . 0.0 111.286 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -88.23 -17.76 30.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.335 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.501 ' HE ' HG12 ' B' ' 49' ' ' VAL . 21.4 ttm180 -59.34 -59.88 4.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.387 -168.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.463 ' HG2' HD22 ' A' ' 69' ' ' LEU . 46.6 mtpt -70.41 -31.06 68.1 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.476 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.85 -44.55 63.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.672 0.272 . . . . 0.0 111.151 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.629 ' HA ' ' HD3' ' B' ' 60' ' ' LYS . 13.1 tt -68.76 -29.2 42.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.022 -177.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.69 -42.52 81.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.728 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.29 -37.12 69.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.521 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.629 ' HD3' ' HA ' ' B' ' 57' ' ' ILE . 51.2 mtpt -52.52 -49.51 64.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.354 0.597 . . . . 0.0 110.007 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.497 ' CE2' ' HE2' ' A' ' 61' ' ' PHE . 9.7 t80 -61.42 -52.44 64.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.681 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' B' ' 66' ' ' MET . . . -57.46 -40.77 79.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.563 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -62.75 -46.67 86.99 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.12 82.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.86 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.668 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.418 ' HE1' HD21 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -72.56 -19.42 61.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.216 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.5 m -93.66 -30.95 14.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.177 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' SER . . . . . 0.412 ' C ' ' H ' ' B' ' 70' ' ' GLU . 36.7 p -89.63 13.22 14.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.369 0.604 . . . . 0.0 110.291 176.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.56 HD22 ' HA ' ' A' ' 55' ' ' LYS . 35.6 tp -77.94 27.4 0.18 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.47 -176.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 69' ' ' LEU . 35.3 mm-40 70.05 -46.16 0.6 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.55 0.74 . . . . 0.0 111.183 -176.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.409 ' H ' ' C ' ' B' ' 69' ' ' LEU . 9.6 m 59.07 70.49 1.13 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.603 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -94.16 159.37 2.12 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.962 2.441 . . . . 0.0 111.585 175.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp 71.55 118.29 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.911 0.863 . . . . 0.0 111.664 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 71.03 99.46 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 113.826 -1.534 . . . . 0.0 112.244 172.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -129.96 -10.89 4.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.783 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 86.9 mt -78.19 143.91 36.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.05 -15.83 15.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.985 0.422 . . . . 0.0 110.769 177.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -95.1 103.26 15.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.39 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -130.15 -72.25 0.58 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.666 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -165.59 158.33 15.5 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -60.19 112.67 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.273 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -71.73 121.57 19.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.239 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.287 -0.87 . . . . 0.0 108.775 174.208 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.645 0.26 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.85 92.54 0.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.576 2.184 . . . . 0.0 110.988 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -7.24 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.05 -177.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.5 m 70.19 99.74 0.06 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.08 -175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.525 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 46.8 t -83.3 155.84 23.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.197 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.649 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -95.92 -10.43 28.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.099 176.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.525 ' CE2' ' HB3' ' A' ' 5' ' ' SER . 90.9 m-85 52.7 -152.57 0.26 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.234 174.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.7 p -88.02 143.84 26.86 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.49 -29.73 70.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.62 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.41 -49.08 67.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.381 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 15' ' ' ILE . 52.4 tt0 -58.93 -57.16 14.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.928 -175.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.45 -45.82 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.105 -177.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.6 -40.43 91.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.413 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 66.7 mmtt -75.48 -36.59 60.6 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 11' ' ' GLN . 50.9 mt -67.23 -46.15 84.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.395 175.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.14 -36.03 76.62 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.5 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 21' ' ' LEU . . . -56.49 -54.15 49.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.784 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' HG21 ' A' ' 22' ' ' VAL . 34.6 mt-10 -67.87 -44.3 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.314 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 75.2 t -59.36 -51.04 77.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.672 0.272 . . . . 0.0 111.094 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.72 -32.21 72.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.815 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 2.5 tt -64.44 -42.16 96.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 18' ' ' GLU . 82.2 t -58.72 -44.51 90.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.984 0.421 . . . . 0.0 110.175 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 HG22 ' A' ' 33' ' ' THR . 58.9 mt -62.83 -43.27 99.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.392 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.96 -46.83 70.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.749 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -65.64 -34.46 78.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.641 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -91.3 7.27 41.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.804 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.89 46.76 19.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.83 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' HA ' HD22 ' A' ' 32' ' ' LEU . . . -70.99 124.07 23.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.519 ' HB2' ' OE1' ' A' ' 31' ' ' GLU . 5.5 m -67.68 162.03 61.01 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.202 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.54 -49.81 16.18 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.883 2.388 . . . . 0.0 113.506 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.519 ' OE1' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -71.38 -36.17 71.32 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.537 -177.429 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 28' ' ' ALA . 57.6 tp -59.2 -47.18 86.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.159 0.504 . . . . 0.0 109.954 171.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.493 HG22 HD13 ' A' ' 23' ' ' LEU . 54.4 m -56.35 -49.17 75.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.128 177.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD11 ' HB ' ' B' ' 44' ' ' VAL . 0.5 OUTLIER -69.53 -33.51 72.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.857 -175.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.437 ' HE2' HD11 ' A' ' 32' ' ' LEU . 16.0 tmm? -64.0 -40.63 96.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' O ' HG13 ' A' ' 40' ' ' ILE . 43.6 mt -60.9 -41.89 90.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.659 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.22 91.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.975 0.417 . . . . 0.0 110.656 177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.98 93.41 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.112 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -64.09 -39.94 95.16 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 36' ' ' ILE . 80.6 mt -56.86 -53.64 39.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.238 175.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.02 -45.27 87.18 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.493 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.3 m -56.33 -49.13 75.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.245 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -59.83 -46.97 87.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.597 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 40' ' ' ILE . 62.9 t -61.68 -47.36 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.783 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.78 HD12 HD11 ' B' ' 69' ' ' LEU . 94.4 mt -63.25 -32.4 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 111.733 -177.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -78.13 -41.84 33.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -117.57 -34.29 4.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -110.74 18.88 19.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -165.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 3.9 p -139.82 164.88 22.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -77.92 143.94 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.367 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.45 -46.35 80.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.261 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 m -63.31 -29.48 70.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.604 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.515 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 8.1 tp60 -87.49 -16.6 34.27 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.349 -172.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 14.2 mtm-85 -53.89 -58.68 6.37 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -173.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.53 -39.81 94.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.92 0.39 . . . . 0.0 110.544 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.04 -48.16 63.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.762 -175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.9 tt -74.03 -30.37 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.12 71.52 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.192 0.52 . . . . 0.0 110.005 175.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -68.97 -37.67 78.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.863 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.646 ' HB3' ' HZ3' ' A' ' 60' ' ' LYS . 9.2 mtpm? -56.96 -45.7 82.66 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.51 ' HB2' HD23 ' B' ' 34' ' ' LEU . 86.6 t80 -58.58 -53.99 52.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.722 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.9 -46.91 87.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.721 -176.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 6.8 tp60 -67.62 -39.25 84.69 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.618 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.92 76.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.325 0.583 . . . . 0.0 110.191 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.3 tp -70.08 -41.67 73.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.568 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.5 mmt -79.18 -11.6 59.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.327 -176.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 p -94.64 -25.25 16.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 p -91.01 -25.44 19.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.182 0.515 . . . . 0.0 110.381 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.427 HD11 ' CG ' ' B' ' 54' ' ' ARG . 58.1 tp -59.4 131.53 51.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.667 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.556 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 36.4 mt-10 -95.14 80.72 3.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.626 0.727 . . . . 0.0 111.802 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.577 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 2.4 p -90.1 177.34 2.44 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.988 170.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.506 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 52.7 Cg_exo -56.22 109.48 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 121.69 1.594 . . . . 0.0 111.017 172.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 71' ' ' THR . 66.1 mttm -103.47 115.68 30.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.237 -172.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.2 t -79.01 115.71 18.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 171.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -90.03 41.21 1.04 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.525 -173.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 tp -120.39 115.84 24.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -135.48 115.59 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 171.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -137.43 104.76 5.46 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.884 0.373 . . . . 0.0 110.119 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -99.97 131.19 46.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.827 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -72.27 -40.27 67.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -175.73 -57.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.734 169.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -97.34 -29.51 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.333 0.587 . . . . 0.0 109.89 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--O 1.245 0.817 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.231 -178.699 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.2 ttm . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.717 0.294 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -87.99 177.27 3.54 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.671 2.247 . . . . 0.0 112.295 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -114.13 -165.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.407 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m -60.99 111.75 1.8 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.849 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m 69.5 167.25 0.28 Allowed 'General case' 0 CA--C 1.533 0.293 0 O-C-N 123.887 0.742 . . . . 0.0 110.778 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -84.06 73.8 10.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.299 0.571 . . . . 0.0 111.152 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -95.58 137.72 34.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.25 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m -57.41 118.51 5.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.972 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.42 -27.08 69.05 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.849 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 4.9 tm-20 -60.14 -47.61 85.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 174.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -61.17 -52.44 64.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.906 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.402 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 98.0 t -59.38 -41.74 85.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.64 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.64 -40.9 93.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 32.5 mmtp -65.14 -45.55 84.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.16 -41.91 94.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.364 . . . . 0.0 110.239 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 95.7 mt -60.77 -42.64 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.654 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.54 95.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 29.3 mm-40 -62.47 -50.73 70.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.446 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.586 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 97.1 t -59.89 -49.3 84.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.04 75.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.582 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.09 -43.38 87.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.104 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.458 HG22 ' O ' ' B' ' 18' ' ' GLU . 95.7 t -61.01 -38.88 80.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 110.521 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 75.6 mt -61.83 -49.92 74.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.369 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.59 -33.28 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.538 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.11 -37.78 78.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.756 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -99.28 7.12 45.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.81 41.44 28.05 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 122.779 0.432 . . . . 0.0 111.889 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 149.99 49.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.214 0.53 . . . . 0.0 111.778 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -89.81 165.22 25.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.253 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.21 -49.67 14.53 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.807 2.338 . . . . 0.0 113.531 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.57 -32.22 64.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.438 -176.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.41 HD12 ' HE2' ' B' ' 35' ' ' MET . 57.1 tp -61.29 -45.76 93.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.168 0.509 . . . . 0.0 109.641 171.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.421 HG21 HD13 ' B' ' 23' ' ' LEU . 55.3 m -55.52 -49.13 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.038 176.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 61' ' ' PHE . 7.7 tt -69.03 -34.82 75.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.757 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.41 ' HE2' HD12 ' B' ' 32' ' ' LEU . 10.4 tmm? -65.66 -38.02 88.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.096 176.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.3 mt -58.21 -45.23 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.615 175.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.35 -37.49 75.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.521 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.82 89.33 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.01 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -59.32 -37.76 78.6 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.542 0.211 . . . . 0.0 110.817 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.439 ' O ' HG23 ' B' ' 44' ' ' VAL . 72.2 mt -59.26 -56.02 19.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.237 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.65 86.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.046 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 49.4 m -57.66 -53.29 59.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.45 -45.96 90.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 58.7 t -63.44 -47.2 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.088 -178.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.03 -25.24 65.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -92.07 -46.36 7.82 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.823 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -113.46 -7.12 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -169.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.577 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 97.8 mtt180 -131.96 23.0 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 p -146.93 158.24 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.85 146.39 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.618 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.68 98.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.556 0.217 . . . . 0.0 111.452 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 16.2 m -65.41 -31.01 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.217 0.532 . . . . 0.0 110.37 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.414 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 13.5 tp60 -85.52 -18.53 33.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.343 -178.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.427 ' CG ' HD11 ' A' ' 69' ' ' LEU . 32.8 ttm180 -53.38 -59.99 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.765 -169.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -79.36 -16.77 55.73 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.242 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -80.3 -45.79 17.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.131 0.491 . . . . 0.0 109.774 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.414 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.5 tt -73.53 -29.05 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.882 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.82 -34.02 68.97 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.107 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.04 -44.17 93.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -62.24 -48.58 79.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.229 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.24 -51.14 69.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.434 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.97 83.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.051 0.453 . . . . 0.0 110.949 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -66.17 -36.77 83.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.83 86.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.623 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.75 -46.6 88.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.435 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -26.35 64.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.396 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.0 m -78.18 -24.8 47.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.959 0.409 . . . . 0.0 110.345 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -97.62 1.12 48.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.44 0.638 . . . . 0.0 109.869 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.78 HD11 HD12 ' A' ' 45' ' ' LEU . 7.9 tt -83.3 125.88 32.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.513 -0.767 . . . . 0.0 108.992 175.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -75.62 132.98 40.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.287 0.565 . . . . 0.0 110.848 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' B' ' 72' ' ' PRO . 2.7 p -103.23 143.77 27.29 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.869 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' B' ' 71' ' ' THR . 5.3 Cg_exo -76.76 104.73 1.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.944 2.429 . . . . 0.0 111.409 178.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -79.56 108.87 13.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.567 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 22.2 p -76.99 -52.79 8.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.314 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -151.36 137.95 18.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.483 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.93 111.45 7.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.053 0.454 . . . . 0.0 111.676 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.464 ' OE2' ' HD2' ' B' ' 80' ' ' HIS . 1.5 tm-20 -96.78 106.68 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.513 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -104.12 25.72 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.741 -177.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 63.36 51.16 2.71 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -172.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.464 ' HD2' ' OE2' ' B' ' 77' ' ' GLU . 8.1 p80 -86.03 133.47 33.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.984 -170.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 49.2 t60 71.65 -59.07 0.56 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.349 173.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . 0.534 ' O ' ' HB2' ' B' ' 83' ' ' HIS . 81.0 t60 -76.67 -88.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.378 -0.231 . . . . 0.0 110.378 -178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' B' ' 82' ' ' HIS . 3.2 t-160 . . . . . 0 C--O 1.244 0.811 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 110.567 -0.16 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.22 103.13 0.41 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.721 2.28 . . . . 0.0 111.636 175.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 tt -88.99 -50.78 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.345 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.42 ' HB ' ' HE2' ' B' ' 35' ' ' MET . 5.8 m -96.53 86.69 4.2 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m 68.7 160.97 0.19 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.899 0.749 . . . . 0.0 110.581 -173.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -78.12 80.54 4.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.232 0.539 . . . . 0.0 111.475 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -93.72 139.04 31.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.509 171.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.4 m -52.94 114.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.695 0.622 . . . . 0.0 110.76 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -54.94 -44.53 74.39 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.262 -173.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.753 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 22.8 mt-10 -55.38 -49.5 72.15 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.077 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -55.2 -47.96 74.53 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.497 0.498 . . . . 0.0 110.987 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.9 t -61.42 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.017 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.79 -34.39 77.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.375 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.753 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 30.8 mmtp -65.65 -48.23 72.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.097 0.475 . . . . 0.0 110.068 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.88 -42.11 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.952 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -59.43 -36.14 75.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.789 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.12 81.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.676 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.93 -46.63 86.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.014 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.26 -41.66 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.745 0.307 . . . . 0.0 111.076 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.14 78.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.6 mt -69.94 -31.05 68.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.976 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -66.02 -42.09 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.255 0.55 . . . . 0.0 109.832 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.8 mt -69.07 -39.21 79.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.344 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.83 -44.91 88.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.392 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -68.19 -23.67 64.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.691 0.281 . . . . 0.0 111.495 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -93.84 -4.18 50.55 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.189 -0.204 . . . . 0.0 111.022 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.42 44.14 27.59 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.558 0.536 . . . . 0.0 110.666 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -62.85 131.08 47.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.578 -176.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -72.98 163.8 65.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.856 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -52.72 -46.08 36.02 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.52 2.147 . . . . 0.0 112.676 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.759 ' HB3' HG22 ' B' ' 4' ' ' THR . 20.5 mt-10 -69.44 -39.41 77.82 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.462 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 28' ' ' ALA . 58.5 tp -62.61 -46.9 86.14 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.086 0.469 . . . . 0.0 109.79 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.1 m -53.45 -51.14 63.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.952 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.494 HD23 ' HB2' ' B' ' 61' ' ' PHE . 8.5 tt -70.73 -34.9 72.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.842 -176.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.668 ' HE3' ' HA ' ' B' ' 6' ' ' LYS . 29.9 ttp -64.76 -34.08 77.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.27 177.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 40' ' ' ILE . 31.1 mt -64.6 -42.36 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.524 175.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.1 83.68 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.621 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.81 -41.0 99.93 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.179 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -62.03 -41.74 98.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.47 0.176 . . . . 0.0 110.547 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 36' ' ' ILE . 86.8 mt -56.45 -56.49 13.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.8 -53.73 54.46 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.36 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.4 m -55.16 -43.07 73.92 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.095 0.474 . . . . 0.0 111.489 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -63.95 -47.46 80.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.58 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.56 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 87.8 t -65.98 -35.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.744 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.71 HD11 HD11 ' B' ' 69' ' ' LEU . 96.0 mt -65.15 -25.92 67.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.845 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -89.8 -41.43 11.86 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.091 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.56 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 28.8 pt20 -136.59 137.58 40.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.86 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 94.9 mtt-85 91.95 14.65 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.182 1.393 . . . . 0.0 110.854 -178.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.464 HG13 ' HA ' ' A' ' 45' ' ' LEU . 1.3 p -141.39 158.93 22.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 120.762 0.315 . . . . 0.0 110.314 173.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . . . -79.66 163.08 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.805 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.34 -41.44 56.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.482 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -63.12 -34.57 77.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.339 0.59 . . . . 0.0 110.121 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' HB2' ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -88.33 -8.0 55.82 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.568 -176.693 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -60.11 -67.91 0.34 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.935 -170.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -74.66 -26.9 60.16 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.1 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -48.32 72.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.241 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.1 tt -69.9 -32.25 51.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.044 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.34 88.49 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.931 0.396 . . . . 0.0 110.764 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.16 -40.18 71.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.56 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -60.19 -40.87 91.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.099 0.476 . . . . 0.0 110.129 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -60.61 -51.22 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.08 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -57.08 -40.74 77.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -65.29 -47.46 76.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.271 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.04 -38.52 79.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.676 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.17 -42.54 96.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.483 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.467 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 25.4 mmt -71.61 -31.0 66.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.176 0.513 . . . . 0.0 110.301 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.3 m -71.71 -19.01 62.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.067 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -110.53 13.0 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.39 0.614 . . . . 0.0 110.499 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 tp -96.59 107.92 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.148 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -74.02 99.51 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.279 0.561 . . . . 0.0 111.485 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.5 m -124.23 87.73 53.45 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.812 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -81.42 -46.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.378 2.052 . . . . 0.0 112.165 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -171.9 170.38 5.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.628 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 75' ' ' HIS . 7.5 t -129.8 -43.46 1.23 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 171.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 74' ' ' THR . 4.8 p80 175.24 124.64 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.86 -85.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.336 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 57.55 28.85 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.75 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -119.97 121.9 40.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 171.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -110.08 -69.36 0.87 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.823 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.6 m80 66.03 153.3 0.07 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.687 0.617 . . . . 0.0 110.972 -176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -105.05 -23.35 12.96 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 122.054 -0.404 . . . . 0.0 110.266 176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -97.41 -71.81 0.67 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.279 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.996 -178.528 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.25 -158.65 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.923 2.415 . . . . 0.0 112.247 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.9 pt -72.07 179.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.011 0.434 . . . . 0.0 110.099 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.759 HG22 ' HB3' ' A' ' 31' ' ' GLU . 54.0 m -90.31 125.78 35.63 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.853 174.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -54.91 124.68 17.42 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 123.398 0.436 . . . . 0.0 110.094 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.668 ' HA ' ' HE3' ' A' ' 35' ' ' MET . 51.3 mtpt -82.11 -15.74 52.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.961 -175.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 67.7 m-85 60.74 -151.96 0.39 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.116 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.8 p -67.7 104.54 1.66 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.519 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.1 -40.31 73.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.208 0.528 . . . . 0.0 110.809 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.549 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 2.0 mp0 -53.73 -48.45 69.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.228 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.554 ' O ' HG13 ' B' ' 15' ' ' ILE . 6.8 tt0 -70.63 -40.75 72.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.62 -176.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.484 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 80.8 t -58.84 -44.78 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.63 -42.31 74.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.191 0.52 . . . . 0.0 110.495 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 34.3 mmtp -69.9 -44.12 70.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.593 -178.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.554 HG13 ' O ' ' B' ' 11' ' ' GLN . 54.8 mt -62.96 -41.41 92.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.782 0.325 . . . . 0.0 110.289 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 93.5 mt -58.37 -40.41 82.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.547 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.93 89.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.655 177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.478 ' O ' HG22 ' B' ' 22' ' ' VAL . 46.9 mt-10 -57.58 -49.88 74.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.725 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.515 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 87.9 t -62.3 -48.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.167 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.496 ' HA ' HD13 ' B' ' 23' ' ' LEU . . . -61.38 -34.46 75.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.86 0.362 . . . . 0.0 111.146 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 tt -66.02 -39.81 90.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.332 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.478 HG22 ' O ' ' B' ' 18' ' ' GLU . 66.1 t -63.0 -38.4 81.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.224 0.535 . . . . 0.0 110.275 177.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 58.6 mt -64.17 -49.64 71.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.341 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -71.66 -21.77 61.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.198 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.9 -33.62 76.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.445 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -104.9 4.99 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.07 44.56 22.4 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.292 0.568 . . . . 0.0 110.792 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.65 122.7 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.31 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.43 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 33.4 m -71.4 159.77 84.53 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.056 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 1.7 Cg_endo -44.03 -48.37 9.42 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.657 2.905 . . . . 0.0 113.429 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.415 ' OE2' ' HG2' ' B' ' 30' ' ' PRO . 3.1 mp0 -57.39 -50.43 72.99 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.302 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.488 ' HA ' ' HE1' ' B' ' 35' ' ' MET . 54.8 tp -63.49 -47.21 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.898 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.475 HG23 HD12 ' B' ' 23' ' ' LEU . 53.5 m -56.96 -50.25 73.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.515 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 tt -72.77 -31.21 64.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.294 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' B' ' 32' ' ' LEU . 14.9 ttm -61.33 -39.82 91.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.204 0.526 . . . . 0.0 109.961 175.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.84 -44.03 98.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.741 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.86 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.48 . . . . 0.0 110.168 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.72 -46.16 92.65 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.114 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -55.75 -39.95 71.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.52 0.2 . . . . 0.0 110.696 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.431 ' O ' HG22 ' B' ' 44' ' ' VAL . 75.2 mt -59.96 -59.75 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.477 175.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.488 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.64 -42.24 83.01 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.354 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 53.1 m -56.63 -52.97 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.043 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.23 -41.53 97.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.522 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.838 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 69.3 t -62.39 -49.33 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.72 177.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 91.2 mt -68.74 -16.54 63.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.889 -176.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -97.96 -51.2 4.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -122.68 6.24 9.45 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -168.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.838 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 28.5 mmt180 -123.94 10.51 8.87 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.206 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.54 HG21 ' HB3' ' B' ' 53' ' ' GLN . 9.8 p -144.62 152.67 15.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.837 0.351 . . . . 0.0 110.374 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.41 151.64 42.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.744 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.46 80.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.789 0.328 . . . . 0.0 111.235 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -66.79 -30.05 70.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.403 0.621 . . . . 0.0 110.472 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.54 ' HB3' HG21 ' B' ' 49' ' ' VAL . 5.1 tp60 -94.17 -4.96 48.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.448 -174.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.65 -65.05 0.75 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.9 -169.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.7 -29.38 67.81 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.943 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.62 -49.92 71.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.127 0.489 . . . . 0.0 109.829 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.453 HG21 HG22 ' B' ' 49' ' ' VAL . 9.9 tt -75.03 -28.58 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.36 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.71 80.51 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.15 0.5 . . . . 0.0 110.159 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.68 -36.91 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.99 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -56.74 -54.31 47.77 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.886 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.494 ' HB2' HD23 ' A' ' 34' ' ' LEU . 90.6 t80 -58.15 -53.32 59.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.467 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -62.1 -48.93 77.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.698 -175.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -65.9 -41.43 91.5 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.649 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.34 96.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 0.0 110.403 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 tp -62.7 -38.74 91.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.259 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.5 mmt -76.74 -34.5 58.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 65.1 p -73.82 -21.76 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 0.0 110.766 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 18.0 t -103.21 9.36 38.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.227 0.537 . . . . 0.0 109.853 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.71 HD11 HD11 ' A' ' 45' ' ' LEU . 68.9 tp -91.12 134.66 34.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.012 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -52.06 -46.88 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.416 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.2 m 64.99 95.09 0.05 OUTLIER Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.245 176.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.14 42.34 0.74 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.868 2.379 . . . . 0.0 113.466 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' B' ' 73' ' ' LYS . 46.1 mtpt -133.86 1.74 3.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.921 0.391 . . . . 0.0 110.415 176.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 16.1 p -62.65 -57.39 11.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.84 -175.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -78.99 -18.31 53.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.851 0.357 . . . . 0.0 110.984 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.97 -31.34 50.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.369 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.552 ' OE1' ' HB2' ' B' ' 80' ' ' HIS . 0.6 OUTLIER -113.61 117.04 30.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.904 0.383 . . . . 0.0 110.739 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -130.93 148.39 52.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.557 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 78.54 -21.95 0.31 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.971 170.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.552 ' HB2' ' OE1' ' B' ' 77' ' ' GLU . 38.8 m80 -92.28 -44.67 8.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -61.42 110.14 1.36 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.331 0.586 . . . . 0.0 111.277 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -111.94 137.09 50.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.319 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 10.0 m170 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.706 173.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.63 0.253 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.07 -66.49 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.545 2.163 . . . . 0.0 110.602 171.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -144.63 -32.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.926 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.707 ' HB ' ' HE1' ' B' ' 35' ' ' MET . 0.2 OUTLIER -148.03 -170.04 3.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 6' ' ' LYS . 66.0 m -71.05 -4.98 27.91 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 5' ' ' SER . 80.4 tttt 74.68 -60.62 0.51 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.423 0.689 . . . . 0.0 112.566 175.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 64.03 -157.67 0.31 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -172.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.2 m -89.8 124.0 34.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.552 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -58.89 -40.44 84.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.315 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.92 -42.33 75.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.352 . . . . 0.0 111.131 176.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.534 ' O ' HG13 ' A' ' 15' ' ' ILE . 8.5 tt0 -69.32 -55.26 10.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.202 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' B' ' 32' ' ' LEU . 60.4 t -55.96 -51.25 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.332 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.85 -44.14 97.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -29.25 63.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.276 -176.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 11' ' ' GLN . 77.8 mt -65.3 -47.85 85.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 172.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 HD23 HG22 ' B' ' 36' ' ' ILE . 89.1 mt -57.94 -41.6 83.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.737 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.89 86.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.265 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.65 -38.56 83.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.171 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 15' ' ' ILE . 99.8 t -64.28 -45.39 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.96 0.409 . . . . 0.0 110.106 176.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.67 71.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.102 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.06 -40.85 82.69 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.11 -47.6 92.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.198 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.9 -37.92 77.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.687 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.22 -51.86 22.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.762 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -63.4 -40.7 97.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.516 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -86.76 1.37 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.021 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.02 45.14 21.59 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 123.658 0.599 . . . . 0.0 111.678 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.61 123.63 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -65.51 155.54 85.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.4 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.451 ' HB3' ' HD3' ' B' ' 48' ' ' ARG . 53.6 Cg_exo -52.74 -46.73 31.5 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.71 2.273 . . . . 0.0 112.466 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.94 -45.85 93.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.98 0.419 . . . . 0.0 110.375 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HA ' ' HE2' ' A' ' 35' ' ' MET . 65.6 tp -61.18 -38.78 87.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.478 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -58.88 -53.05 62.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.187 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.52 -31.43 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.976 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.506 ' HE2' ' HA ' ' A' ' 32' ' ' LEU . 24.3 ttm -55.69 -49.64 72.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.427 0.632 . . . . 0.0 110.171 173.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.7 mt -61.47 -38.09 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.183 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.41 82.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.016 0.436 . . . . 0.0 110.71 175.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.17 -36.2 89.72 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.259 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -63.56 -41.42 98.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.972 0.415 . . . . 0.0 110.0 177.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.62 -52.37 62.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.643 177.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.37 -51.16 67.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.391 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.3 m -57.56 -48.72 78.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.33 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -59.79 -41.06 90.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.152 0.501 . . . . 0.0 111.202 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.595 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 54.5 t -65.56 -42.6 93.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.284 176.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.833 HD11 HD13 ' B' ' 69' ' ' LEU . 96.1 mt -63.91 -17.15 62.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -84.7 -62.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.988 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -109.6 -41.42 4.57 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.595 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 14.1 mmt85 -82.7 10.82 6.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -168.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.443 HG21 HG23 ' A' ' 57' ' ' ILE . 8.5 p -136.66 153.06 29.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.12 145.96 41.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.629 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -53.87 -42.19 68.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.996 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.2 t -76.62 -4.01 40.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.446 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -111.47 -10.53 14.17 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.268 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 65.7 mtt-85 -50.55 -65.14 0.61 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -171.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 tmtp? -71.2 -26.07 62.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.044 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.71 -46.69 57.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.01 0.433 . . . . 0.0 109.935 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.443 HG23 HG21 ' A' ' 49' ' ' VAL . 13.4 tt -72.07 -26.82 25.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.161 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.52 -32.55 70.06 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.258 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.08 -43.69 91.36 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -54.72 -50.69 67.72 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.033 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -57.66 -54.4 47.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.056 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -63.26 -45.3 92.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.611 -176.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.07 -44.88 94.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.422 . . . . 0.0 110.385 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.9 85.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.449 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 tp -69.25 -38.31 78.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.555 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.53 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 31.3 mmt -64.07 -39.09 93.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.0 110.272 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t -74.88 -28.51 60.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.583 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.2 m -88.03 2.46 51.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.296 0.57 . . . . 0.0 110.561 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 66' ' ' MET . 7.6 mt -74.35 85.0 1.95 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.151 174.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -80.12 89.37 5.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.967 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.575 ' HB ' ' HD2' ' B' ' 54' ' ' ARG . 5.4 t -129.45 119.64 19.5 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 121.257 0.551 . . . . 0.0 111.052 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 71' ' ' THR . 17.1 Cg_exo -68.55 94.17 0.43 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.833 2.355 . . . . 0.0 112.289 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.566 ' HZ1' ' HA ' ' B' ' 52' ' ' SER . 68.4 mttm -137.45 -44.88 0.55 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.623 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -145.29 162.28 37.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -131.77 7.74 4.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.932 0.396 . . . . 0.0 110.229 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.646 HD23 ' HB2' ' A' ' 79' ' ' HIS . 2.1 tt -95.22 125.14 39.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.861 -175.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -64.35 105.02 0.84 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.176 -176.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.4 t60 54.14 56.9 6.44 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.115 172.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.646 ' HB2' HD23 ' A' ' 76' ' ' LEU . 65.1 t60 -81.19 60.98 4.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.957 0.408 . . . . 0.0 111.461 -176.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.51 ' HB3' ' O ' ' A' ' 79' ' ' HIS . 3.7 p80 170.51 111.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.601 172.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -78.15 143.52 37.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.914 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -71.04 140.73 50.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.375 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.6 p80 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 119.089 -0.481 . . . . 0.0 110.033 178.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 110.654 -0.128 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.28 107.9 2.1 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.555 2.17 . . . . 0.0 111.814 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.553 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.2 OUTLIER -98.45 -68.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.214 0.531 . . . . 0.0 110.965 -176.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 26.7 m -63.13 -71.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.072 -175.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -130.34 163.44 26.84 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -91.92 80.98 5.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.361 0.601 . . . . 0.0 110.474 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -92.48 175.03 6.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.334 173.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 79.3 m -60.27 122.6 14.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.02 -42.92 69.66 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.738 -176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 1.6 tp10 -55.53 -54.29 45.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.593 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -51.93 -55.77 18.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.597 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.9 t -58.24 -49.11 82.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.155 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -58.55 -47.27 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 65.4 mmtt -69.2 -44.16 72.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.779 -174.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.43 -39.37 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.928 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.11 -44.04 97.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.686 0.279 . . . . 0.0 110.574 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.67 96.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.471 ' O ' HG22 ' B' ' 22' ' ' VAL . 5.9 mm-40 -57.67 -53.25 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.095 177.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.19 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.978 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.1 90.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.83 -41.42 97.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.414 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.471 HG22 ' O ' ' B' ' 18' ' ' GLU . 87.3 t -59.63 -40.89 83.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.949 0.404 . . . . 0.0 110.462 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.16 -38.31 87.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.21 -27.05 61.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -64.37 -24.99 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.138 0.494 . . . . 0.0 110.842 176.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -110.14 -3.52 16.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.481 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 51.69 50.98 17.59 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 123.7 0.625 . . . . 0.0 110.308 -174.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.99 138.24 56.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.483 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -73.94 158.0 86.42 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.304 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.476 ' O ' ' HB ' ' B' ' 33' ' ' THR . 51.5 Cg_exo -53.22 -50.82 12.65 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.143 2.562 . . . . 0.0 113.986 -175.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.454 ' OE2' HG21 ' A' ' 4' ' ' THR . 33.0 tt0 -69.92 -32.6 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.428 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.454 ' O ' HG12 ' B' ' 36' ' ' ILE . 47.1 tp -63.2 -39.13 93.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.053 0.454 . . . . 0.0 109.996 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.476 ' HB ' ' O ' ' B' ' 30' ' ' PRO . 72.3 m -56.66 -48.9 76.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.739 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -69.97 -30.55 67.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.289 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.707 ' HE1' ' HB ' ' A' ' 4' ' ' THR . 44.1 ttm -61.76 -41.87 98.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.163 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.464 ' O ' HG13 ' B' ' 40' ' ' ILE . 40.3 mm -58.62 -47.95 87.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.796 175.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.49 90.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.092 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.17 -44.05 96.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 121.173 -0.536 . . . . 0.0 112.608 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -60.9 -41.77 96.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.332 0.111 . . . . 0.0 110.839 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.464 HG13 ' O ' ' B' ' 36' ' ' ILE . 88.8 mt -54.19 -56.38 9.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.309 176.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.12 -48.52 78.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.779 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 56.5 m -57.15 -41.33 78.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.937 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -41.02 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.035 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.01 -40.2 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 110.385 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 90.0 mt -66.1 -38.04 87.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.468 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.406 ' HB3' ' HG3' ' B' ' 47' ' ' GLN . 2.1 m-80 -69.59 -57.81 4.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.468 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' B' ' 48' ' ' ARG . 53.9 mt-30 -124.83 76.29 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.259 -171.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.451 ' HD3' ' HB3' ' A' ' 30' ' ' PRO . 13.6 mtt85 173.81 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.19 0.931 . . . . 0.0 110.856 173.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.483 HG22 HG21 ' B' ' 57' ' ' ILE . 7.1 p -80.66 156.6 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.899 0.38 . . . . 0.0 110.579 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 146.33 50.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.27 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.11 77.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.113 0.482 . . . . 0.0 110.801 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.566 ' HA ' ' HZ1' ' A' ' 73' ' ' LYS . 6.0 m -67.7 -28.69 67.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 178.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.46 ' HB3' HG21 ' B' ' 49' ' ' VAL . 23.8 tt0 -96.52 -6.11 37.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.205 -175.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.575 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 21.5 ttm180 -60.39 -60.37 3.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.88 -169.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -75.35 -27.17 59.09 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.601 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.54 -45.79 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.239 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.483 HG21 HG22 ' B' ' 49' ' ' VAL . 11.1 tt -72.71 -27.4 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.69 70.32 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.343 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.25 -50.04 75.22 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.763 176.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -53.26 -48.7 68.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.543 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.82 -50.04 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.312 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.465 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -61.13 -47.17 87.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.305 -177.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.51 -38.98 91.28 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.2 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.99 0.424 . . . . 0.0 110.327 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.41 -43.0 99.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.216 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 26.3 mmt -70.71 -19.21 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -79.03 -38.8 35.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.18 176.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -84.19 -14.63 49.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.465 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.833 HD13 HD11 ' A' ' 45' ' ' LEU . 54.6 tp -65.79 126.58 28.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.893 175.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.32 -86.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.071 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.451 ' HG1' ' HG ' ' B' ' 69' ' ' LEU . 15.4 m 54.23 81.02 0.27 Allowed Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.843 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -82.06 134.07 8.01 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.183 2.589 . . . . 0.0 112.235 -176.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -111.54 68.96 0.68 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.476 0.655 . . . . 0.0 109.51 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.8 t -76.57 -21.77 55.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.235 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.9 t60 65.97 111.36 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.084 0.554 . . . . 0.0 111.527 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -111.44 105.95 14.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.032 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -70.67 99.55 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 172.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 -122.22 28.88 7.25 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.895 -171.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -86.97 2.62 48.86 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.497 0.665 . . . . 0.0 109.967 176.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -81.27 -18.34 46.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 170.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . 0.525 ' O ' ' HB2' ' B' ' 82' ' ' HIS . 10.1 t60 -100.45 105.47 16.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.381 -1.281 . . . . 0.0 107.607 174.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . 0.525 ' HB2' ' O ' ' B' ' 81' ' ' HIS . 18.9 m80 72.12 95.3 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.763 0.664 . . . . 0.0 110.06 -167.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 25.1 p80 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.037 -179.262 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.574 0.226 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.84 124.39 8.06 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.129 1.886 . . . . 0.0 111.504 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.2 pt -74.45 -34.67 36.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.978 0.418 . . . . 0.0 110.041 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.789 HG23 ' HB3' ' B' ' 31' ' ' GLU . 24.2 m -150.33 71.05 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.41 176.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 p 35.0 -100.0 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.412 0 O-C-N 124.329 1.018 . . . . 0.0 112.446 -174.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm 179.27 -48.73 0.01 OUTLIER 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.531 ' HH ' ' HB2' ' B' ' 31' ' ' GLU . 65.7 m-85 62.25 -178.69 0.13 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.183 -176.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -92.65 141.53 28.37 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.782 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.7 -27.28 69.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.274 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.0 -53.66 54.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.433 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 15' ' ' ILE . 51.2 tt0 -58.18 -49.47 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.528 -177.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 58.9 t -60.66 -51.04 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.016 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.06 -43.86 98.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.37 -39.27 89.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.39 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 11' ' ' GLN . 59.9 mt -71.76 -39.54 68.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.594 178.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 86.3 mt -58.81 -43.73 90.62 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -58.46 -42.43 87.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.741 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' HG21 ' A' ' 22' ' ' VAL . 17.1 mm-40 -57.85 -53.19 60.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 59.0 t -60.29 -45.11 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.89 84.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.228 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 48.7 mt -68.48 -35.76 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.928 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 18' ' ' GLU . 87.6 t -63.14 -42.62 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.267 0.556 . . . . 0.0 109.833 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 67.3 mt -65.57 -42.98 91.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.371 177.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.84 -48.32 74.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.542 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -65.1 -23.2 67.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.837 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -102.56 5.16 39.16 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.239 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.37 43.88 28.16 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.505 0.503 . . . . 0.0 111.554 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.42 124.52 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.427 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 55.8 m -75.63 164.38 61.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.515 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.602 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 75.0 Cg_exo -50.71 -50.6 13.25 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.275 2.65 . . . . 0.0 113.553 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.484 ' HB2' ' OH ' ' B' ' 7' ' ' TYR . 1.9 mp0 -58.27 -46.78 85.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.819 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.42 HD12 HG23 ' B' ' 12' ' ' VAL . 61.4 tp -61.17 -47.75 84.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.448 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.407 HG22 HD12 ' A' ' 23' ' ' LEU . 62.8 m -54.84 -49.98 69.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.265 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' B' ' 61' ' ' PHE . 7.4 tt -70.55 -33.08 70.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.572 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.9 ttp -68.17 -33.04 73.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.158 0.504 . . . . 0.0 110.132 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.437 ' O ' HG13 ' A' ' 40' ' ' ILE . 39.0 mt -61.83 -41.77 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.418 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.19 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' CA ' ' HE1' ' B' ' 61' ' ' PHE . . . -63.35 -42.0 99.28 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.042 176.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -61.01 -41.51 96.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.587 0.232 . . . . 0.0 110.483 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 36' ' ' ILE . 82.7 mt -57.72 -58.98 3.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.56 -46.2 77.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.59 -178.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -58.95 -51.16 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.54 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -63.35 -32.06 73.38 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.709 0.29 . . . . 0.0 111.454 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 88.3 t -69.24 -46.55 77.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.595 HD12 ' HG ' ' B' ' 69' ' ' LEU . 96.0 mt -59.15 -32.03 69.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 177.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -67.95 -67.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.403 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -134.06 23.69 3.87 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -166.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.577 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 38.8 mtp85 -142.72 29.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.897 0.379 . . . . 0.0 111.272 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.423 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 4.1 p -151.05 158.35 4.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.685 177.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -75.17 140.6 43.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.538 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.03 -42.82 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.315 0.384 . . . . 0.0 111.208 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 m -70.61 -23.5 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.704 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -87.52 -24.25 24.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.937 -177.598 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 93.6 mtt180 -46.12 -53.34 10.54 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -172.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -72.74 -40.63 65.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.365 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' HA ' HD22 ' A' ' 56' ' ' LEU . 4.2 mt -63.39 -47.19 83.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.717 0.294 . . . . 0.0 111.391 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.546 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 16.1 tt -70.26 -28.26 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 -175.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -46.29 58.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.648 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.65 -44.64 93.22 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -55.31 -46.25 76.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.467 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.505 ' HB2' HD23 ' B' ' 34' ' ' LEU . 85.0 t80 -59.3 -53.3 59.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.886 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.598 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -61.01 -43.7 98.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.247 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.14 -48.08 83.22 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.02 85.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.781 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -67.47 -38.93 85.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.598 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.8 mmt -75.15 -32.03 61.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.707 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.2 p -79.28 -9.97 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.105 0.479 . . . . 0.0 110.441 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.6 m -110.99 7.91 21.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.196 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 tp -81.9 98.86 8.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.918 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.92 98.5 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.45 0.643 . . . . 0.0 111.33 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.4 m -91.1 128.7 46.56 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.911 175.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 71' ' ' THR . 15.9 Cg_exo -69.38 49.07 0.61 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.254 2.636 . . . . 0.0 114.475 -173.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -87.32 76.22 9.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.629 0.728 . . . . 0.0 109.402 172.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 p -75.75 -16.1 60.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.087 -173.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.405 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 9.4 t60 73.53 -6.92 1.66 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.61 0.569 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.1 tp 68.84 -67.5 0.21 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.675 0.79 . . . . 0.0 110.357 -174.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.405 ' HG2' ' CD2' ' A' ' 75' ' ' HIS . 21.8 mm-40 59.78 -165.69 0.2 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.919 0.866 . . . . 0.0 112.387 175.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -122.22 116.45 24.16 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.418 -1.264 . . . . 0.0 108.167 170.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -83.16 -14.29 53.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.158 -165.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -87.12 83.35 7.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.501 0.667 . . . . 0.0 110.971 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -116.88 -3.49 11.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.452 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 66.53 -76.06 0.05 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.807 -174.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.407 173.248 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -81.23 114.39 2.8 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.26 1.973 . . . . 0.0 111.904 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 tt -62.99 122.24 13.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.415 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.471 ' HG1' ' HB3' ' A' ' 31' ' ' GLU . 28.2 m 65.04 83.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.586 -179.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.6 p -104.48 -169.56 1.64 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.153 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -76.47 -19.58 57.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 175.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.484 ' OH ' ' HB2' ' A' ' 31' ' ' GLU . 91.1 m-85 55.72 -151.95 0.38 Allowed 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -171.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 91.6 m -80.24 109.77 15.03 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 167.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -55.84 -42.51 75.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.914 -173.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.16 -37.56 80.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.655 0.264 . . . . 0.0 110.753 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.533 ' O ' HG13 ' B' ' 15' ' ' ILE . 28.5 tt0 -63.75 -50.08 70.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.922 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.42 HG23 HD12 ' A' ' 32' ' ' LEU . 52.7 t -58.42 -45.6 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.265 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -54.86 -44.28 73.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.215 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.3 -39.19 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.505 -177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.533 HG13 ' O ' ' B' ' 11' ' ' GLN . 64.4 mt -62.51 -46.07 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.93 -40.05 87.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.43 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.87 -49.59 77.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.035 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.464 ' O ' HG22 ' B' ' 22' ' ' VAL . 45.2 mt-10 -66.05 -47.15 75.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.233 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.539 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 74.8 t -59.68 -46.84 92.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.678 0.275 . . . . 0.0 110.854 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.82 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.822 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 tp -68.06 -40.58 82.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.199 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.464 HG22 ' O ' ' B' ' 18' ' ' GLU . 78.5 t -59.31 -41.05 82.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.039 0.447 . . . . 0.0 110.257 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 64.0 mt -61.01 -47.99 83.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.116 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -65.15 -49.71 68.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.745 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.14 -36.92 68.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.77 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -92.88 2.17 56.91 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.26 49.32 15.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.19 0.519 . . . . 0.0 111.064 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.99 125.53 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.851 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.0 p -71.42 157.87 89.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.428 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.55 -41.4 60.82 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.956 2.437 . . . . 0.0 112.162 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.789 ' HB3' HG23 ' A' ' 4' ' ' THR . 4.9 mp0 -56.91 -50.59 72.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.171 177.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.409 ' O ' HG13 ' B' ' 36' ' ' ILE . 59.2 tp -66.41 -47.55 72.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.457 -177.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.453 HG22 HD12 ' B' ' 23' ' ' LEU . 87.0 m -52.47 -51.86 57.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.674 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.505 HD23 ' HB2' ' A' ' 61' ' ' PHE . 4.3 tt -72.41 -31.3 65.4 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.82 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.7 ttp -71.16 -34.05 70.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 32' ' ' LEU . 49.4 mt -60.8 -44.23 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.236 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.41 76.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.088 0.471 . . . . 0.0 110.54 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.71 93.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.369 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -66.01 -41.49 90.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.522 ' O ' HG21 ' B' ' 44' ' ' VAL . 1.5 mp -56.36 -51.1 68.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.15 174.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.574 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.09 -43.89 91.87 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.586 0.231 . . . . 0.0 110.752 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.2 m -60.74 -44.64 96.43 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.171 0.51 . . . . 0.0 110.848 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -66.13 -35.14 79.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.125 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.727 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 72.8 t -65.47 -45.63 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.99 174.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 90.0 mt -61.83 -21.47 64.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -96.78 -55.45 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -110.11 10.47 23.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.723 0.297 . . . . 0.0 111.785 -166.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.727 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 7.6 mpt_? -129.23 -51.03 1.2 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.956 0.408 . . . . 0.0 111.662 -174.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.657 HG21 ' HB3' ' B' ' 53' ' ' GLN . 4.2 p -86.48 158.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.335 -172.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.05 155.14 27.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.404 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.86 88.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.776 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.4 m -74.7 -11.68 60.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.185 0.517 . . . . 0.0 111.08 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.657 ' HB3' HG21 ' B' ' 49' ' ' VAL . 6.0 tp-100 -99.81 -4.29 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.193 -177.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -55.0 -62.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.612 -170.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 10.3 tmtt? -78.86 -31.52 45.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.116 -172.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.16 -50.01 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.463 HG21 HG22 ' B' ' 49' ' ' VAL . 12.8 tt -67.44 -33.41 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 -177.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.76 -43.4 79.93 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.383 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.72 -48.45 80.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.07 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -56.73 -39.4 73.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.457 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.475 ' HB2' HD23 ' A' ' 34' ' ' LEU . 48.5 t80 -69.23 -53.37 20.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.877 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.38 -43.38 92.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.397 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -64.21 -40.34 95.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.654 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.9 87.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.423 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.03 -40.29 94.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.29 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.652 ' HE3' ' HA ' ' B' ' 66' ' ' MET . 28.4 mmt -63.12 -40.52 97.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.984 0.421 . . . . 0.0 110.432 176.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.4 t -71.03 -19.43 62.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.085 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 29.0 m -99.59 -2.92 34.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.023 0.44 . . . . 0.0 111.035 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.595 ' HG ' HD12 ' A' ' 45' ' ' LEU . 2.8 tt -81.32 102.53 10.48 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.5 82.87 5.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.408 0.623 . . . . 0.0 110.551 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' B' ' 72' ' ' PRO . 8.8 t -73.14 140.27 79.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.173 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 71' ' ' THR . 34.2 Cg_exo -61.76 105.57 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.686 2.258 . . . . 0.0 111.612 178.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -109.72 -178.16 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.24 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.37 26.34 1.97 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -171.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -85.72 143.04 28.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.38 124.6 24.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.3 78.84 2.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.229 0.537 . . . . 0.0 109.877 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -170.55 27.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.765 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -141.26 113.41 7.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.457 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -141.69 135.24 29.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.415 0.626 . . . . 0.0 111.853 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -138.5 145.73 41.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.408 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -93.0 157.42 16.32 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.512 -0.756 . . . . 0.0 109.775 -179.047 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -62.12 117.55 4.4 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.627 2.218 . . . . 0.0 112.192 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pt -98.53 94.89 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m 71.98 145.73 0.07 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.191 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -60.88 113.34 2.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.16 0.505 . . . . 0.0 111.334 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -73.22 90.85 1.62 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.913 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.44 ' HB3' ' OE1' ' A' ' 11' ' ' GLN . 82.5 m-85 -76.94 -172.96 2.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.855 172.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.424 ' OG1' ' HB2' ' A' ' 11' ' ' GLN . 49.7 p -77.18 143.05 39.33 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.747 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -60.35 -36.03 77.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.377 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.59 -42.15 98.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.047 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 15' ' ' ILE . 52.9 tt0 -57.99 -52.56 65.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.337 0.589 . . . . 0.0 110.21 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.41 -42.98 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.365 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.05 -45.0 71.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.245 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.17 -42.63 75.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.068 -177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 11' ' ' GLN . 50.5 mt -67.37 -44.27 87.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.107 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD23 HG22 ' B' ' 36' ' ' ILE . 47.1 mt -57.86 -43.72 86.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 176.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.48 83.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.182 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -72.41 -36.22 68.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.575 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 15' ' ' ILE . 88.4 t -64.18 -46.22 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.029 0.442 . . . . 0.0 110.265 176.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.21 77.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.542 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.576 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 8.0 tt -61.44 -40.31 94.0 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.004 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.71 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 75.9 t -61.55 -48.43 88.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.108 0.48 . . . . 0.0 110.467 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.483 HD12 HG21 ' A' ' 33' ' ' THR . 62.6 mt -63.7 -33.83 76.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.533 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.83 -48.34 71.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.119 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.71 ' HE2' ' HA ' ' A' ' 22' ' ' VAL . 45.6 mtmt -56.69 -37.02 70.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.912 0.387 . . . . 0.0 111.52 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 89.0 m-70 -93.33 -3.24 53.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.404 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.09 46.96 22.98 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.533 0.521 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.12 130.66 44.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.721 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.498 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 24.9 m -79.13 159.88 72.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.074 176.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.498 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 1.3 Cg_endo -45.75 -47.38 13.86 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.627 2.885 . . . . 0.0 114.276 -176.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.9 -41.36 99.4 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.951 0.405 . . . . 0.0 110.324 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.554 ' O ' HG12 ' A' ' 36' ' ' ILE . 37.3 tp -69.32 -29.12 66.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.478 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.483 HG21 HD12 ' A' ' 23' ' ' LEU . 17.6 m -64.08 -47.44 80.09 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.025 0.44 . . . . 0.0 110.255 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' B' ' 61' ' ' PHE . 6.6 mp -76.77 -20.72 56.14 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.913 177.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.451 ' HB3' ' O ' ' A' ' 32' ' ' LEU . 41.5 tpp -57.85 -48.67 79.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.632 ' O ' HG12 ' A' ' 40' ' ' ILE . 38.1 mm -63.04 -53.66 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.514 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.48 -45.4 91.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.772 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.41 -47.69 74.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.521 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -62.91 -33.56 75.57 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.519 0.199 . . . . 0.0 110.951 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.632 HG12 ' O ' ' A' ' 36' ' ' ILE . 49.1 mm -58.99 -54.24 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.75 89.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.101 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -58.82 -47.28 85.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.815 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.5 -34.35 76.7 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.612 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.749 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 90.7 t -64.17 -46.66 92.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 174.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' O ' ' HD3' ' A' ' 54' ' ' ARG . 94.5 mt -65.27 -23.57 67.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.402 . . . . 0.0 111.064 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -78.96 -51.05 10.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.851 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -134.19 -10.33 2.58 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -170.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.749 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 48.3 mtt180 -111.22 19.53 18.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.918 -0.489 . . . . 0.0 112.148 -171.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.695 HG21 ' H ' ' A' ' 50' ' ' ALA . 5.1 p -148.54 175.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.867 -176.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.695 ' H ' HG21 ' A' ' 49' ' ' VAL . . . -96.79 148.13 23.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.883 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.35 -60.01 3.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.414 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.2 m -69.23 -19.5 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 111.274 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.718 ' HG3' HG12 ' A' ' 57' ' ' ILE . 12.5 tp60 -88.07 -18.15 29.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -175.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 10.8 mtm-85 -51.09 -51.18 55.91 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -173.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -61.36 -45.41 94.51 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.193 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.489 ' HB3' HE21 ' A' ' 53' ' ' GLN . 9.3 tt -68.82 -36.06 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.08 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.718 HG12 ' HG3' ' A' ' 53' ' ' GLN . 12.6 mm -62.36 -46.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.827 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.78 88.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.653 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -61.47 -50.35 73.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.97 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.84 -35.84 81.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.398 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB2' HD23 ' B' ' 34' ' ' LEU . 62.4 t80 -66.91 -51.31 56.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.765 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.52 92.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.108 0.48 . . . . 0.0 110.844 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.63 -36.37 82.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.075 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.3 89.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.45 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.2 -48.33 82.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.123 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.9 mmt -72.68 -30.04 63.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.17 -176.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 m -80.02 -33.23 39.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.95 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.4 m -93.73 10.15 34.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.933 0.397 . . . . 0.0 110.479 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.9 tp -66.47 92.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.597 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -81.34 96.28 7.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.479 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.1 p -75.88 144.13 75.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.945 174.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -56.11 106.1 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.061 2.508 . . . . 0.0 113.002 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -99.48 121.32 40.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.912 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.0 p -78.45 70.95 4.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.04 0.448 . . . . 0.0 111.757 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -101.5 -7.36 22.89 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 170.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 mt -79.31 98.99 6.9 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.732 -1.122 . . . . 0.0 108.204 173.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.595 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 50.6 mt-10 -102.99 15.29 29.81 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -167.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -77.98 52.95 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.613 0.721 . . . . 0.0 109.492 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -143.0 -63.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.896 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -106.52 -17.84 14.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -176.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.595 ' HB2' ' HB3' ' A' ' 77' ' ' GLU . 3.9 t-160 -79.8 50.72 1.21 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.301 0.572 . . . . 0.0 109.953 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -159.75 97.9 1.33 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.339 -176.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.07 -51.17 10.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.554 2.17 . . . . 0.0 111.555 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.763 HG13 ' H ' ' B' ' 4' ' ' THR . 3.7 pt -144.75 -81.36 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.609 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.763 ' H ' HG13 ' B' ' 3' ' ' ILE . 12.2 m -83.91 -53.7 5.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.16 0.505 . . . . 0.0 110.009 177.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -156.63 -177.0 6.28 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.554 ' HG3' ' N ' ' B' ' 7' ' ' TYR . 50.4 pttt -98.18 -51.7 3.92 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.539 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.554 ' N ' ' HG3' ' B' ' 6' ' ' LYS . 30.4 m-85 53.26 -167.42 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.479 0.657 . . . . 0.0 112.309 -176.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.402 ' H ' ' HB3' ' B' ' 7' ' ' TYR . 14.8 m -99.85 124.77 45.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.874 177.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -57.98 -38.59 76.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.723 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.466 ' O ' ' HD3' ' B' ' 14' ' ' LYS . 41.6 mt-10 -54.85 -56.2 22.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.176 0.512 . . . . 0.0 110.671 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.498 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.6 tp-100 -58.35 -47.41 83.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.72 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.93 -47.61 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.442 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.14 -47.23 83.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.972 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' B' ' 10' ' ' GLU . 4.9 mptp? -69.63 -33.75 73.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.513 -175.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 11' ' ' GLN . 69.7 mt -68.88 -46.86 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.291 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.547 HD22 HG22 ' A' ' 36' ' ' ILE . 75.7 mt -57.03 -40.94 77.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.525 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.27 87.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.297 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.455 ' O ' HG21 ' B' ' 22' ' ' VAL . 24.7 mt-10 -72.65 -39.45 67.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.531 -178.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.624 HG23 HG21 ' A' ' 36' ' ' ILE . 98.2 t -62.81 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.184 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.43 -33.37 75.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.44 -40.11 95.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.267 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.455 HG21 ' O ' ' B' ' 18' ' ' GLU . 90.1 t -63.21 -42.89 98.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.157 0.503 . . . . 0.0 110.204 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.467 HD11 HG22 ' B' ' 33' ' ' THR . 68.4 mt -62.92 -45.36 92.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.196 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.73 -40.68 97.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.637 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -65.05 -21.0 66.76 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.571 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -109.15 -0.11 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.424 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.82 49.52 20.08 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.809 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.62 126.51 29.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.77 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 72.9 p -75.68 161.07 77.58 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.081 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -44.83 -48.52 10.58 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.446 2.764 . . . . 0.0 113.76 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 1.9 mp0 -56.94 -50.53 72.31 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.231 0.538 . . . . 0.0 110.078 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.24 -44.39 88.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.112 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.467 HG22 HD11 ' B' ' 23' ' ' LEU . 99.1 m -53.02 -53.88 43.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.487 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.466 HD23 ' HB2' ' A' ' 61' ' ' PHE . 8.1 tt -71.01 -36.41 72.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.936 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 29.2 ttp -64.58 -41.8 96.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.682 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.557 HG22 HD23 ' A' ' 16' ' ' LEU . 52.2 mt -57.83 -44.84 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 177.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.5 -31.83 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.623 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.92 -43.86 92.93 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.017 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -60.51 -40.32 90.98 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.536 HG12 ' O ' ' B' ' 36' ' ' ILE . 42.5 mm -57.95 -59.29 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.673 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.51 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.07 -48.89 79.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.254 -177.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 50.5 m -59.71 -46.81 87.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.379 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.458 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 4.0 t-20 -60.41 -41.38 93.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.053 0.454 . . . . 0.0 110.638 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.469 HG22 HG23 ' A' ' 33' ' ' THR . 45.3 t -65.89 -40.96 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.606 176.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 93.5 mt -60.32 -22.16 62.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.481 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -85.24 -52.37 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.487 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 3.4 pp0? -125.15 -8.04 7.09 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -166.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.549 ' HA ' ' NE ' ' B' ' 48' ' ' ARG . 4.4 mmp_? -110.53 -43.47 3.86 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.447 -176.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.478 HG21 HG21 ' B' ' 57' ' ' ILE . 9.6 p -71.27 157.78 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.607 0.241 . . . . 0.0 110.461 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.53 139.51 58.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 111.012 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.531 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . . . -61.21 -30.6 70.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.79 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.4 t -90.3 5.37 47.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.719 0.295 . . . . 0.0 110.957 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -124.57 6.08 8.25 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.041 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.531 ' NE ' ' HA ' ' B' ' 51' ' ' ALA . 21.3 mmt180 -55.32 -69.21 0.14 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.19 0.519 . . . . 0.0 111.978 -172.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -69.53 -32.96 72.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.748 -172.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.19 -46.29 84.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.263 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.478 HG21 HG21 ' B' ' 49' ' ' VAL . 11.7 tt -71.98 -29.68 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.535 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -34.46 77.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 110.055 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.51 -45.35 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.555 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.406 ' HA ' ' HB3' ' B' ' 63' ' ' GLN . 22.3 mtpp -68.26 -31.86 71.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.355 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.469 ' CD1' HD21 ' A' ' 34' ' ' LEU . 88.5 t80 -64.86 -49.37 70.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.995 0.426 . . . . 0.0 110.138 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.552 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -63.96 -38.99 93.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.94 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . 0.406 ' HB3' ' HA ' ' B' ' 60' ' ' LYS . 29.5 tt0 -53.09 -48.3 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.461 173.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.36 -45.12 76.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 0.0 110.799 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.91 -47.3 81.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.525 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 21.4 mmt -69.05 -30.81 69.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.124 0.488 . . . . 0.0 110.804 -178.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 63.3 m -78.99 -18.46 53.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.049 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.9 p -107.33 6.46 28.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.44 . . . . 0.0 110.491 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 tp -76.15 88.5 3.04 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.965 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.435 ' O ' ' HD3' ' B' ' 72' ' ' PRO . 40.2 mt-10 -71.98 105.95 4.08 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.542 -178.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 17.4 m -96.99 99.42 5.88 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.701 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.665 ' HA ' ' HA ' ' B' ' 76' ' ' LEU . 84.4 Cg_endo -80.89 32.67 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.934 2.422 . . . . 0.0 113.754 -170.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' B' ' 73' ' ' LYS . 32.5 mmtp -93.1 -12.6 30.06 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.3 p -100.8 46.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.37 176.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 4.3 t60 56.77 60.76 2.9 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -172.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.665 ' HA ' ' HA ' ' B' ' 72' ' ' PRO . 46.4 tp 60.38 -94.56 0.05 OUTLIER 'General case' 0 N--CA 1.458 -0.035 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -165.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.611 ' HB3' ' HB2' ' B' ' 82' ' ' HIS . 31.5 tt0 -154.41 77.28 1.06 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.752 0.787 . . . . 0.0 108.956 169.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -85.98 -6.6 59.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.42 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -72.32 100.38 2.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.677 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.472 ' O ' ' HB2' ' B' ' 81' ' ' HIS . 30.3 t-80 64.67 24.73 12.99 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.879 176.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' B' ' 80' ' ' HIS . 10.2 m-70 70.79 135.92 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.556 0.693 . . . . 0.0 112.093 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . 0.611 ' HB2' ' HB3' ' B' ' 77' ' ' GLU . 83.5 t60 -91.42 -19.69 22.6 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 167.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 84.9 t60 . . . . . 0 C--O 1.253 1.264 0 CA-C-N 114.428 -1.26 . . . . 0.0 108.835 177.126 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.5 mtm . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.57 135.82 37.39 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.682 2.254 . . . . 0.0 112.306 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.9 pt -82.77 166.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.73 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.758 HG22 ' H ' ' A' ' 5' ' ' SER . 1.8 m 62.65 -168.44 0.2 Allowed 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -176.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.758 ' H ' HG22 ' A' ' 4' ' ' THR . 4.3 m -76.82 -12.82 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.06 -0.4 . . . . 0.0 110.508 176.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 5' ' ' SER . 20.5 pttp 59.75 -36.7 0.07 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.152 1.781 . . . . 0.0 113.491 -177.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.429 ' H ' ' C ' ' A' ' 5' ' ' SER . 92.7 m-85 64.0 -160.55 0.29 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 111.824 174.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -85.82 123.96 31.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.969 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.4 -46.49 66.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.237 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -59.02 -55.23 37.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.642 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.543 ' O ' HG13 ' A' ' 15' ' ' ILE . 49.6 mt-30 -55.36 -51.21 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.06 0.225 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 8' ' ' THR . 58.1 t -57.47 -52.09 61.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.058 0.456 . . . . 0.0 111.463 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -67.66 -39.15 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.773 -174.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 17.3 mmtp -77.21 -23.69 51.4 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.936 -176.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 11' ' ' GLN . 66.2 mt -64.58 -46.81 91.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 169.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD22 HG22 ' B' ' 36' ' ' ILE . 91.3 mt -58.63 -38.09 77.31 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.552 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.75 -49.32 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.27 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.478 ' CD ' ' HZ2' ' B' ' 25' ' ' LYS . 32.3 mt-10 -64.57 -42.68 95.5 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.997 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 94.3 t -59.8 -47.72 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 0.0 110.731 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.22 75.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.22 -41.98 96.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.061 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 18' ' ' GLU . 58.3 t -64.05 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.192 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 75.9 mt -63.96 -46.07 86.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.501 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.85 -48.45 81.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.698 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -56.89 -41.31 77.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.557 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -91.74 2.57 56.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.297 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.47 47.09 23.58 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.631 0.582 . . . . 0.0 111.089 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 125.88 26.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.82 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 m -64.36 159.98 54.31 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.511 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.52 ' O ' ' HB ' ' A' ' 33' ' ' THR . 67.0 Cg_exo -51.91 -56.72 2.67 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.965 2.444 . . . . 0.0 114.001 -176.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.88 -34.46 77.85 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.66 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' O ' ' HG3' ' A' ' 35' ' ' MET . 48.5 tp -60.21 -40.0 88.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.148 0.499 . . . . 0.0 109.957 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 49.0 m -58.52 -47.04 85.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.808 174.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' B' ' 61' ' ' PHE . 7.1 tt -74.55 -36.98 63.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.47 -174.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.556 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 5.2 ppp? -66.22 -32.38 73.78 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 40' ' ' ILE . 27.4 mt -65.38 -41.82 92.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.428 175.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.9 81.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.972 0.415 . . . . 0.0 110.117 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.77 -44.02 96.87 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.94 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -58.34 -40.88 83.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.794 0.331 . . . . 0.0 110.521 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 44' ' ' VAL . 77.5 mt -59.33 -54.1 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.479 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.07 -39.61 82.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.914 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.9 m -57.68 -48.28 79.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -62.62 -43.95 97.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.809 0.338 . . . . 0.0 110.102 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.549 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 59.7 t -59.25 -48.94 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.718 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 96.7 mt -67.21 -19.6 65.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.91 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -99.27 -42.05 7.19 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -117.75 -13.23 10.17 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -172.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.549 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 9.2 mmm180 -119.37 13.15 12.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -171.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG23 HG21 ' A' ' 57' ' ' ILE . 5.4 p -138.74 161.89 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.558 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.72 139.71 43.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -44.4 69.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.755 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 m -64.65 -25.19 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.302 0.572 . . . . 0.0 111.206 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.86 1.33 33.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.537 -173.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HG2' HD12 ' B' ' 69' ' ' LEU . 43.8 ttm-85 -60.61 -66.85 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.087 -168.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -77.18 -22.76 51.96 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.471 -176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.78 -53.91 47.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.471 HG21 HG23 ' A' ' 49' ' ' VAL . 11.7 tt -68.39 -28.84 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.464 -176.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.08 -44.27 72.85 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.628 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.49 -42.41 87.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.645 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -57.81 -39.39 77.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.701 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.547 ' HE2' ' HE1' ' B' ' 61' ' ' PHE . 40.1 t80 -66.39 -47.64 72.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.145 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.82 -40.35 79.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.242 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.71 -44.15 96.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.062 0.458 . . . . 0.0 110.576 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.26 89.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.88 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -67.34 -30.64 70.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.121 0.486 . . . . 0.0 110.598 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -30.37 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.793 177.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 p -82.82 -18.85 39.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.787 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.7 p -93.03 -4.81 51.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.292 0.568 . . . . 0.0 110.461 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tt -74.38 107.75 6.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.223 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' HA ' ' OE1' ' A' ' 70' ' ' GLU . 3.7 mm-40 -89.81 130.51 36.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.724 0.773 . . . . 0.0 111.969 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.497 ' HB ' ' HD2' ' A' ' 72' ' ' PRO . 10.7 p -108.35 178.01 1.15 Allowed Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.712 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.497 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 29.0 Cg_exo -62.61 91.1 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.922 1.748 . . . . 0.0 111.678 174.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -102.63 12.24 36.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.591 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t -117.89 -164.68 1.03 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.739 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 78.17 -9.52 1.5 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.686 0.794 . . . . 0.0 111.562 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.07 1.35 50.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.737 0.304 . . . . 0.0 111.25 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -100.95 -34.03 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.872 0.368 . . . . 0.0 110.734 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -82.29 100.82 10.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.198 0.523 . . . . 0.0 110.38 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -133.28 124.26 26.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.738 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -81.48 -24.46 36.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 172.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -125.85 112.01 15.51 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.611 174.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -74.9 153.27 38.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.728 0.299 . . . . 0.0 110.258 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.479 176.511 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.462 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 27.7 Cg_exo -62.54 143.31 92.71 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 123.007 2.471 . . . . 0.0 112.814 -177.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 pt -85.28 176.35 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.479 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -63.9 136.37 57.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.251 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -156.25 -120.43 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 52.6 tttm 62.43 19.37 11.09 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.813 0.816 . . . . 0.0 110.102 -174.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.473 ' CD2' HD13 ' A' ' 32' ' ' LEU . 31.2 m-85 -108.72 24.47 13.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.263 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 13.7 p 60.76 129.82 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 111.115 -169.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.5 -34.97 78.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.34 0.591 . . . . 0.0 109.614 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -62.22 -51.52 67.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.721 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.569 ' O ' HG13 ' B' ' 15' ' ' ILE . 9.6 tt0 -58.28 -48.89 79.03 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.692 0.282 . . . . 0.0 110.558 -178.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.412 HG23 HD12 ' A' ' 32' ' ' LEU . 86.5 t -59.44 -48.35 87.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.56 -47.65 69.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.944 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.65 -41.85 92.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.365 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.569 HG13 ' O ' ' B' ' 11' ' ' GLN . 70.4 mt -62.12 -48.55 87.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.717 0.294 . . . . 0.0 110.423 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.427 HD23 HG22 ' A' ' 36' ' ' ILE . 90.7 mt -56.69 -43.94 81.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -58.93 -44.34 91.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.288 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.56 -42.03 78.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.806 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.436 HG11 HG22 ' A' ' 19' ' ' VAL . 89.7 t -63.48 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.951 0.405 . . . . 0.0 110.777 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.17 94.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 81.9 mt -66.65 -28.86 68.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.6 -50.6 79.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.208 0.527 . . . . 0.0 109.939 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.475 HD13 HG23 ' B' ' 33' ' ' THR . 50.7 mt -63.27 -44.78 94.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.185 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -59.94 -45.34 92.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.937 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.478 ' HZ2' ' CD ' ' A' ' 18' ' ' GLU . 8.3 ttpm? -61.37 -36.71 80.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.617 -176.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -88.26 1.14 55.16 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.203 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.41 45.63 16.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.297 0.57 . . . . 0.0 110.507 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.89 130.37 42.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.434 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -68.38 157.91 86.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.401 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.56 -50.4 13.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.73 2.287 . . . . 0.0 112.612 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.42 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 1.7 mp0 -58.52 -46.43 86.76 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.881 0.372 . . . . 0.0 110.205 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.561 ' O ' HG12 ' B' ' 36' ' ' ILE . 44.9 tp -58.7 -44.33 90.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.685 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.475 HG23 HD13 ' B' ' 23' ' ' LEU . 46.5 m -57.07 -51.63 68.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.665 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.408 ' HB2' HG13 ' A' ' 44' ' ' VAL . 6.6 tt -69.5 -28.79 66.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 -177.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 33.7 ttp -72.01 -31.11 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.223 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.561 HG12 ' O ' ' B' ' 32' ' ' LEU . 30.1 mm -59.05 -45.66 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 172.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.52 -41.25 85.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.561 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.21 -40.03 97.63 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.283 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.16 -42.61 98.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.475 ' O ' HG23 ' B' ' 44' ' ' VAL . 70.0 mt -59.59 -54.47 34.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.423 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -56.71 -44.37 81.49 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.34 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.1 m -62.78 -42.2 99.59 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.707 0.289 . . . . 0.0 110.811 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -58.91 -41.88 88.32 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 110.221 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.486 HG11 ' HB2' ' B' ' 48' ' ' ARG . 59.4 t -64.09 -44.75 97.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.152 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 97.9 mt -66.17 -17.33 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.428 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.98 -56.54 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.469 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -114.72 -32.35 5.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -170.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.486 ' HB2' HG11 ' B' ' 44' ' ' VAL . 45.4 mtt-85 -102.74 23.51 11.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -164.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.448 HG22 HG22 ' B' ' 57' ' ' ILE . 6.0 p -147.06 150.7 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.417 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.12 145.76 47.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.208 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.27 89.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.858 0.361 . . . . 0.0 110.986 175.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 21.8 m -72.54 -14.31 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -101.84 -8.42 21.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.276 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.418 ' HE ' HG11 ' B' ' 49' ' ' VAL . 16.9 ttm180 -64.01 -52.94 57.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.409 -166.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -76.76 -29.33 56.07 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.143 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 67.4 mt -64.35 -49.58 71.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.045 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.448 HG22 HG22 ' B' ' 49' ' ' VAL . 10.2 tt -69.17 -28.23 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.264 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.42 74.94 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.222 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.66 -47.25 73.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.806 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 57.7 mtpt -51.86 -48.21 64.11 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.289 174.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.547 ' HE1' ' HE2' ' A' ' 61' ' ' PHE . 60.9 t80 -54.03 -58.22 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.779 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.08 -46.97 82.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.944 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.86 -45.02 75.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.471 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.89 85.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.227 0.537 . . . . 0.0 110.416 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.8 -48.87 79.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.851 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.44 ' HA ' ' HB2' ' B' ' 69' ' ' LEU . 65.1 mtt -83.76 -11.6 56.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.62 -175.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -81.1 -26.68 36.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 172.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.2 m -98.47 9.18 43.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.166 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.574 HD12 ' HG2' ' A' ' 54' ' ' ARG . 33.8 tp -78.3 113.9 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.462 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -76.35 97.38 4.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.177 0.513 . . . . 0.0 110.465 -178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 21.6 p -115.51 97.97 49.75 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.991 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.87 99.34 0.39 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.669 2.246 . . . . 0.0 111.622 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -120.29 149.53 42.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.408 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.495 ' HB ' ' CG ' ' B' ' 77' ' ' GLU . 7.1 p -81.79 145.97 30.16 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.243 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -87.16 -152.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . 0.496 HD11 ' CD2' ' B' ' 79' ' ' HIS . 29.7 tp -68.89 88.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.495 ' CG ' ' HB ' ' B' ' 74' ' ' THR . 43.3 mm-40 -82.37 -45.37 14.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.273 -176.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -123.66 155.15 38.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.768 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.496 ' CD2' HD11 ' B' ' 76' ' ' LEU . 0.0 OUTLIER -149.28 125.75 10.93 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.683 178.458 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -89.37 107.6 19.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.476 -176.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -122.22 -37.98 2.75 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -152.18 112.45 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.036 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 32.5 t60 . . . . . 0 C--O 1.244 0.816 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.339 174.273 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.705 0.288 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -71.61 105.74 1.83 Allowed 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.792 2.328 . . . . 0.0 111.677 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 tp -101.4 123.29 54.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.545 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m 69.32 -79.0 0.04 OUTLIER 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.59 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 t -175.46 -179.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.468 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 39.8 mtmt -92.83 -57.38 2.67 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 58.48 171.58 0.06 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 122.016 0.912 . . . . 0.0 113.037 -176.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.532 ' HB ' ' CB ' ' A' ' 11' ' ' GLN . 24.7 m -77.38 116.99 18.43 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.748 -1.114 . . . . 0.0 108.988 173.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -68.27 -33.39 74.26 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.236 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.647 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.6 mp0 -65.01 -42.92 93.99 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 174.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.532 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 6.0 tp60 -57.02 -50.2 73.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.373 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.83 -43.11 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.596 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.79 -43.57 97.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 64.4 mmtt -67.43 -36.58 81.52 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 11' ' ' GLN . 89.1 mt -62.86 -52.98 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.044 175.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.95 -40.61 80.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.84 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.48 -50.04 75.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.392 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.534 ' O ' HG21 ' A' ' 22' ' ' VAL . 45.3 mt-10 -62.59 -44.1 97.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.701 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.5 t -60.49 -46.59 95.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.87 0.367 . . . . 0.0 110.779 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.61 80.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.678 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.23 -35.67 80.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.577 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.534 HG21 ' O ' ' A' ' 18' ' ' GLU . 89.9 t -61.62 -41.11 89.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.302 0.573 . . . . 0.0 109.575 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD13 HG23 ' A' ' 33' ' ' THR . 71.2 mt -66.35 -43.88 84.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.263 178.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.87 -47.51 83.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.974 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -52.15 -41.8 62.85 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.092 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.49 8.73 44.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -175.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.61 42.53 26.96 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.128 0.49 . . . . 0.0 111.331 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' HD21 ' A' ' 32' ' ' LEU . . . -68.95 115.51 8.34 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.679 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 m -63.4 157.89 61.42 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.465 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.539 ' HG3' ' HD3' ' B' ' 48' ' ' ARG . 73.3 Cg_exo -49.23 -43.52 36.93 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.09 2.526 . . . . 0.0 112.299 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.05 -53.04 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.403 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' O ' HG12 ' A' ' 36' ' ' ILE . 50.2 tp -63.41 -33.25 75.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.769 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.437 ' CG2' HG22 ' B' ' 44' ' ' VAL . 62.7 m -61.86 -47.32 85.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -29.16 65.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.183 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.7 ttm -60.26 -42.24 94.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.885 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 32' ' ' LEU . 40.2 mm -58.74 -49.48 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.919 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.16 84.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.123 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.9 -43.05 95.01 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.548 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -62.05 -43.2 99.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.579 0.228 . . . . 0.0 110.745 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.484 ' O ' HG22 ' A' ' 44' ' ' VAL . 86.3 mt -58.35 -56.22 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.497 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.58 -45.17 81.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.216 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -60.9 -44.97 96.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.261 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.89 -35.42 79.97 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.626 0.251 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 40' ' ' ILE . 90.1 t -65.15 -45.39 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 174.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.526 HD11 HD12 ' B' ' 69' ' ' LEU . 86.9 mt -62.87 -25.94 68.53 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.435 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.537 ' HA ' ' OE2' ' B' ' 70' ' ' GLU . 0.9 OUTLIER -84.87 -55.81 3.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.957 0.408 . . . . 0.0 111.561 179.258 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -93.63 -59.44 2.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -169.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -87.61 -28.41 21.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -162.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG21 HG23 ' A' ' 57' ' ' ILE . 3.8 p -79.27 159.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.046 0.45 . . . . 0.0 111.509 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.66 135.92 50.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.741 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.557 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -51.69 -43.77 62.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.0 t -87.67 3.27 48.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.548 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 8.5 tp-100 -108.16 -12.04 15.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.468 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 51.1 mtt-85 -50.45 -54.54 21.25 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.911 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HE3' ' SD ' ' B' ' 66' ' ' MET . 22.1 tptm -71.94 -44.3 63.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.593 0.235 . . . . 0.0 110.866 -176.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 33.9 mt -59.85 -47.18 86.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.629 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.548 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 14.6 tt -71.57 -30.19 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.696 -175.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.14 77.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.011 0.434 . . . . 0.0 110.1 174.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -44.23 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.466 174.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 56' ' ' LEU . 2.5 mtmm -68.36 -35.95 78.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.133 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -58.7 -50.07 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.364 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.55 -42.28 96.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.93 -51.58 66.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.444 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.47 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.571 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 26.1 tp -63.58 -48.41 77.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.238 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.468 ' HA ' HD12 ' A' ' 69' ' ' LEU . 24.2 mmt -65.3 -40.66 94.1 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.064 0.459 . . . . 0.0 110.416 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.1 m -69.08 -17.25 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.811 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.0 m -102.18 2.3 37.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.079 0.466 . . . . 0.0 110.55 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 23.5 mt -84.7 95.65 8.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.775 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 45.8 mt-10 -88.31 92.07 9.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 169.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.4 p -91.67 107.39 21.85 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.486 -176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 70' ' ' GLU . 56.3 Cg_endo -74.89 93.36 0.95 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.208 1.939 . . . . 0.0 111.617 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -88.66 130.32 35.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.713 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 p -74.76 80.52 2.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.762 0.792 . . . . 0.0 110.394 176.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -153.52 35.77 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.999 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.56 ' HG ' ' HG3' ' A' ' 77' ' ' GLU . 57.7 tp -75.56 117.71 17.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.739 -174.409 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.56 ' HG3' ' HG ' ' A' ' 76' ' ' LEU . 36.6 mt-10 71.58 123.54 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.126 0.891 . . . . 0.0 112.956 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -176.05 -45.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.894 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -166.34 150.32 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.305 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -117.64 162.79 17.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 70.65 147.6 0.07 Allowed 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.611 0.569 . . . . 0.0 110.4 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -86.24 116.16 24.24 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.881 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.427 -0.797 . . . . 0.0 109.568 -178.357 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.736 0.303 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.35 92.18 0.84 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.588 2.192 . . . . 0.0 111.954 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -87.35 -29.57 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.811 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 10.8 m -153.96 80.45 1.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 63.34 -172.67 0.16 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.924 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 16.7 pttp -125.34 71.01 1.19 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.962 0.887 . . . . 0.0 109.825 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -53.27 151.21 5.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.466 174.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m -55.85 123.35 13.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.424 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -49.63 -49.06 48.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.54 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 6.2 tt0 -60.33 -47.03 87.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -57.42 -48.36 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.962 0.41 . . . . 0.0 110.669 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.06 -41.27 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.538 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.43 -43.77 88.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 33.3 mmtp -56.75 -47.52 79.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.242 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.419 ' O ' HG21 ' B' ' 19' ' ' VAL . 65.7 mt -66.73 -51.0 60.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.92 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.4 mt -58.27 -39.82 80.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.076 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.39 82.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.01 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.473 ' O ' HG22 ' B' ' 22' ' ' VAL . 48.0 mt-10 -66.0 -41.59 90.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.089 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.419 HG21 ' O ' ' B' ' 15' ' ' ILE . 72.5 t -60.72 -47.77 91.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.734 0.302 . . . . 0.0 110.869 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.63 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.76 -39.85 95.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.281 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.473 HG22 ' O ' ' B' ' 18' ' ' GLU . 86.4 t -63.28 -44.54 99.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.957 0.408 . . . . 0.0 110.068 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.467 HD12 HG21 ' B' ' 33' ' ' THR . 68.0 mt -62.79 -46.0 90.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.732 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.82 -40.14 91.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -66.33 -20.8 66.19 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.249 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -107.89 7.88 28.3 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.004 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.61 42.24 17.56 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.53 0.519 . . . . 0.0 111.437 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.524 ' HA ' HD22 ' B' ' 32' ' ' LEU . . . -68.31 120.75 14.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.525 -178.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.464 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 50.7 m -77.6 165.87 48.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.035 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 88.7 Cg_exo -48.0 -48.0 17.56 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.329 2.686 . . . . 0.0 114.056 -177.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.447 ' OE1' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -67.32 -43.67 81.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.465 -177.286 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' B' ' 28' ' ' ALA . 64.6 tp -61.23 -39.5 90.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.793 0.33 . . . . 0.0 110.471 175.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.467 HG21 HD12 ' B' ' 23' ' ' LEU . 95.1 m -56.54 -51.55 68.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.932 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.81 -31.36 66.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.2 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 31.6 ttp -66.26 -36.19 82.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.4 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.463 ' O ' HG13 ' B' ' 40' ' ' ILE . 20.4 mm -59.06 -48.01 88.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 173.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.84 76.48 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.114 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.08 78.18 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.352 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.56 -38.48 84.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.645 0.259 . . . . 0.0 110.755 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.463 HG13 ' O ' ' B' ' 36' ' ' ILE . 84.4 mt -57.8 -57.32 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.401 177.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.434 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.94 -44.99 87.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.148 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -55.49 -56.16 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 111.291 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.8 -34.55 78.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.899 -175.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.437 HG22 ' CG2' ' A' ' 33' ' ' THR . 93.4 t -71.26 -41.05 74.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.936 0.398 . . . . 0.0 110.874 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 96.2 mt -68.65 -26.39 65.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.766 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.65 -46.1 14.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.474 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -123.69 27.92 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -166.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.539 ' HD3' ' HG3' ' A' ' 30' ' ' PRO . 57.4 mtt180 -145.34 -48.33 0.23 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 176.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.479 HG23 HG21 ' B' ' 57' ' ' ILE . 7.2 p -77.96 154.15 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.314 -173.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.96 11.27 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.464 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.1 78.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.396 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 26.6 t -78.9 -18.29 54.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.609 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.43 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 8.5 tp-100 -88.2 -18.12 29.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.175 0.512 . . . . 0.0 109.952 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -53.82 -63.97 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.032 -0.986 . . . . 0.0 112.56 -168.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.412 ' HB3' ' HE3' ' B' ' 55' ' ' LYS . 11.2 mtpp -71.03 -33.71 70.58 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.729 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -63.77 -52.43 60.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.631 0.253 . . . . 0.0 110.99 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.479 HG21 HG23 ' B' ' 49' ' ' VAL . 13.0 tt -66.92 -29.09 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.196 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.24 82.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.03 -30.35 44.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.023 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -58.27 -46.78 85.39 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 0.0 110.094 169.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -57.54 -44.55 85.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.936 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -61.35 -43.51 98.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -41.55 98.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.029 0.442 . . . . 0.0 109.966 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.09 90.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.448 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.31 -33.34 73.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.682 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.657 ' HA ' ' HE1' ' B' ' 66' ' ' MET . 21.2 mmt -69.64 -29.18 66.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.212 0.53 . . . . 0.0 109.909 176.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -84.66 -32.67 23.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.419 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 53.1 p -76.1 -24.74 55.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.135 0.493 . . . . 0.0 110.196 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.526 HD12 HD11 ' A' ' 45' ' ' LEU . 57.5 tp -57.18 128.8 38.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.53 176.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.537 ' OE2' ' HA ' ' A' ' 46' ' ' ASN . 37.8 mt-10 -51.74 -50.23 61.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.873 -177.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 8.3 m 58.99 80.45 0.28 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.628 -174.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.27 44.35 1.68 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.168 2.579 . . . . 0.0 113.271 -172.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.588 ' HB3' ' HZ3' ' B' ' 73' ' ' LYS . 8.7 mtpm? -128.34 -79.41 0.57 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.901 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.9 t -80.55 72.76 7.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.887 0.851 . . . . 0.0 110.433 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -166.17 -44.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.581 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 93.6 mt -99.45 87.76 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.573 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.61 125.98 28.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.094 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -95.5 -55.96 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.52 -173.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -138.47 147.22 42.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.874 0.368 . . . . 0.0 110.989 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -121.49 -42.01 2.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -91.41 136.31 33.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.167 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -82.29 137.47 34.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 -174.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 68.0 t60 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.369 -0.824 . . . . 0.0 109.609 174.92 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.125 0.488 . . . . 0.0 110.569 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -91.62 -22.67 0.5 Allowed 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.849 2.366 . . . . 0.0 113.043 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.1 pt -89.35 -34.52 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.754 -175.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.2 m -102.69 111.06 23.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.039 0.447 . . . . 0.0 110.491 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -158.9 -169.82 2.82 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -74.79 -15.58 60.75 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.204 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 62.79 -166.78 0.22 Allowed 'General case' 0 C--O 1.233 0.194 0 O-C-N 123.774 0.671 . . . . 0.0 110.487 -175.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -71.65 98.43 1.91 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -58.69 -23.42 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.056 -172.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.462 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 6.8 tp10 -61.86 -55.08 33.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.221 0.534 . . . . 0.0 109.773 174.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.1 tp-100 -59.49 -46.55 88.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.556 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.2 t -59.88 -46.1 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.166 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.98 -46.61 84.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.849 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 12.9 mptt -63.31 -40.35 97.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.007 -177.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.457 ' O ' HG22 ' A' ' 19' ' ' VAL . 74.6 mt -64.11 -51.95 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.596 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.15 -41.64 93.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.11 93.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.343 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' O ' HG21 ' A' ' 22' ' ' VAL . 40.0 mt-10 -69.95 -39.35 76.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.6 t -61.85 -46.84 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.796 0.332 . . . . 0.0 110.366 177.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.56 84.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.94 -42.96 99.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.164 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG21 ' O ' ' A' ' 18' ' ' GLU . 77.6 t -61.36 -40.97 88.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.325 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 79.0 mt -58.72 -50.22 74.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.246 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -66.29 -42.59 88.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -62.05 -33.14 73.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.55 -176.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -103.28 11.13 37.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.366 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.63 37.36 27.42 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.438 0.461 . . . . 0.0 111.819 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.14 119.3 12.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.414 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -62.28 149.69 86.63 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.265 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.72 -42.29 51.06 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.119 2.546 . . . . 0.0 112.749 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.79 -46.58 88.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.197 0.522 . . . . 0.0 110.303 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 HD11 ' HE2' ' A' ' 35' ' ' MET . 66.9 tp -60.14 -39.0 84.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.281 177.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.3 m -56.34 -49.8 73.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.369 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tt -73.41 -33.11 64.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.523 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.497 ' HB2' HG22 ' B' ' 4' ' ' THR . 13.9 tmm? -66.32 -33.9 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.089 0.471 . . . . 0.0 109.919 177.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.5 mt -63.72 -42.76 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 174.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.55 71.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.0 -45.63 95.23 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.156 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -59.82 -41.71 91.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.699 0.285 . . . . 0.0 110.462 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.489 ' O ' HG22 ' A' ' 44' ' ' VAL . 78.7 mt -58.08 -58.72 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.393 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.45 -46.67 80.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.323 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.511 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 59.9 m -58.62 -47.35 84.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.535 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -70.22 -37.74 75.09 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.737 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 87.7 t -61.21 -48.19 90.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.534 HD13 HD13 ' B' ' 69' ' ' LEU . 97.8 mt -64.08 -22.57 66.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 111.162 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' A' ' 42' ' ' THR . 8.9 t-20 -89.43 -56.88 3.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.78 -173.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -123.04 1.83 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -170.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.774 ' HE ' ' HA ' ' A' ' 48' ' ' ARG . 1.2 mmp_? -129.9 22.43 5.37 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.91 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.618 HG22 ' H ' ' A' ' 50' ' ' ALA . 2.9 p -144.28 175.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.618 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.87 141.58 29.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.29 -48.65 76.19 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.8 m -71.21 -13.53 61.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.237 0.542 . . . . 0.0 111.155 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.533 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 9.2 tp60 -106.08 -5.48 19.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.804 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HG2' HD12 ' B' ' 69' ' ' LEU . 42.6 ttm180 -68.06 -60.82 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.173 -167.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 59.1 tttm -67.99 -31.57 71.37 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.179 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tt -66.28 -42.76 87.98 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.721 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -71.02 -28.61 33.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.599 177.785 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.35 -44.57 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 173.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 68.7 mm-40 -56.83 -42.97 80.56 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.87 174.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.721 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 50.7 mtpt -53.36 -56.15 19.07 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.654 177.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.509 ' HB2' HD23 ' B' ' 34' ' ' LEU . 89.4 t80 -56.95 -51.55 68.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.062 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.38 75.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.861 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.464 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 14.5 mm-40 -68.68 -36.56 78.66 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.084 -177.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.86 87.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.103 0.478 . . . . 0.0 110.07 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.44 -46.14 84.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.567 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.4 tpp -69.7 -33.37 72.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.287 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 p -77.79 -20.01 54.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 0.0 110.705 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.2 m -91.62 -8.1 48.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.229 0.538 . . . . 0.0 110.205 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.567 ' HG ' HG23 ' A' ' 71' ' ' THR . 42.3 tp -73.62 112.21 9.5 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 175.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.454 ' C ' ' HG1' ' A' ' 71' ' ' THR . 45.4 mt-10 -41.52 -64.01 0.63 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.146 0.903 . . . . 0.0 112.598 -173.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.567 HG23 ' HG ' ' A' ' 69' ' ' LEU . 39.5 p 48.03 89.38 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.641 0 C-N-CA 123.429 0.692 . . . . 0.0 112.594 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -57.28 133.5 57.73 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.546 2.164 . . . . 0.0 111.693 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -112.72 147.08 37.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.976 0.417 . . . . 0.0 110.436 -175.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.23 111.11 21.76 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.24 -166.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -137.04 -93.48 0.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.996 172.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 mp 52.55 29.43 7.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' A' ' 79' ' ' HIS . 49.5 mm-40 -115.55 -65.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -173.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 77' ' ' GLU . 34.3 m80 72.76 -39.58 0.45 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.186 0.594 . . . . 0.0 110.273 -168.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.488 ' H ' ' C ' ' A' ' 77' ' ' GLU . 58.2 m80 72.92 173.35 0.3 Allowed 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.654 0.782 . . . . 0.0 110.749 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -85.69 136.51 33.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.137 0.494 . . . . 0.0 110.986 -175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -138.92 -162.65 1.35 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.39 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -140.67 -36.08 0.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 . . . . . 0 C--O 1.25 1.091 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.886 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.421 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 2.2 tmt? . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 12.2 Cg_exo -70.76 132.71 22.25 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.1 2.534 . . . . 0.0 111.975 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.406 ' HB ' ' H ' ' B' ' 4' ' ' THR . 35.6 pt -79.99 -164.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.298 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.497 HG22 ' HB2' ' A' ' 35' ' ' MET . 85.6 m -43.99 120.54 2.11 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.21 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -149.41 -170.67 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.85 -42.68 66.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.493 0.187 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 59.6 -156.49 0.34 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.656 -174.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.454 HG23 ' HB3' ' B' ' 11' ' ' GLN . 2.3 t -82.47 102.54 11.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.302 0.572 . . . . 0.0 109.774 174.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.02 -16.19 58.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.127 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 25.5 mt-10 -62.96 -50.04 72.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.814 175.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.454 ' HB3' HG23 ' B' ' 8' ' ' THR . 35.5 tt0 -69.81 -41.99 74.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.414 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.455 HG21 HD12 ' A' ' 32' ' ' LEU . 64.8 t -54.73 -46.46 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.261 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.33 -44.76 84.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.834 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 44.6 mmtm -62.81 -46.61 87.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.613 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.29 -37.86 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.493 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.35 -40.91 96.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.469 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.02 82.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.867 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 5.6 mm-40 -60.16 -54.26 47.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 109.922 175.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.448 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 59.6 t -63.77 -42.89 97.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.99 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.1 77.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.38 -43.33 86.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.017 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.444 HG22 ' O ' ' B' ' 18' ' ' GLU . 93.1 t -60.39 -47.25 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.445 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 56.4 mt -64.39 -40.57 96.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.65 -42.13 82.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 0.0 110.495 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.32 -37.35 87.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -87.01 2.06 50.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.009 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.28 46.18 21.64 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.574 0.546 . . . . 0.0 111.764 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.505 ' HA ' HD21 ' B' ' 32' ' ' LEU . . . -66.52 131.07 45.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.202 0.525 . . . . 0.0 111.563 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 13.9 m -85.1 158.09 58.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.591 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 2.6 Cg_endo -46.42 -51.17 9.19 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.557 2.838 . . . . 0.0 113.549 -177.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.443 ' CD ' ' HZ3' ' A' ' 60' ' ' LYS . 45.8 tp10 -56.46 -47.27 79.52 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.037 0.446 . . . . 0.0 110.316 178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' B' ' 28' ' ' ALA . 54.9 tp -63.23 -46.58 86.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.752 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 57.3 m -56.32 -49.72 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 0.0 111.413 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' A' ' 61' ' ' PHE . 7.5 tt -68.74 -33.1 73.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.213 -177.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 53.8 ttp -67.51 -31.43 71.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.276 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.474 HG12 ' O ' ' B' ' 32' ' ' LEU . 24.3 mm -60.64 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.08 78.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.19 94.81 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.011 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -62.35 -39.65 93.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.586 0.231 . . . . 0.0 110.411 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.515 ' O ' HG23 ' B' ' 44' ' ' VAL . 86.5 mt -57.54 -57.91 8.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.39 -47.0 82.83 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 123.372 0.42 . . . . 0.0 111.325 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 26.3 m -60.57 -47.26 86.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.978 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -66.88 -33.63 76.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.613 0.244 . . . . 0.0 110.806 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' ' 40' ' ' ILE . 94.4 t -64.9 -45.48 94.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.516 HD11 HD12 ' A' ' 69' ' ' LEU . 97.1 mt -63.91 -19.57 65.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.865 178.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -87.91 -66.77 0.88 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.355 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -113.43 6.55 17.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.963 1.098 . . . . 0.0 113.963 -163.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -127.25 -30.78 2.62 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' B' ' 53' ' ' GLN . 6.1 p -89.05 157.9 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.73 0.3 . . . . 0.0 110.97 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.07 152.4 38.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.78 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.53 -52.56 61.64 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -62.37 -34.89 77.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.275 0.559 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.531 ' HB3' HG21 ' B' ' 49' ' ' VAL . 12.7 tp60 -76.58 -25.74 54.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.837 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -48.81 -58.69 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.814 0.696 . . . . 0.0 112.443 -172.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -68.59 -39.49 80.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.8 -50.04 59.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.378 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.464 HG21 HG22 ' B' ' 49' ' ' VAL . 14.5 tt -67.23 -35.19 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.787 -174.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.18 86.65 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.076 0.465 . . . . 0.0 110.827 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.76 -43.51 62.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.294 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -57.56 -45.59 84.97 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.152 175.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -60.16 -49.38 77.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -60.86 -43.42 98.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.95 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.62 -40.73 84.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.529 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.73 -38.31 89.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.368 . . . . 0.0 110.411 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.31 -45.08 85.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.66 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.486 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 26.4 mmt -68.13 -30.47 69.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 111.036 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -72.24 -36.27 69.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.993 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -88.13 3.58 48.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.803 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.534 HD13 HD13 ' A' ' 45' ' ' LEU . 58.1 tp -72.01 98.67 2.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.251 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.22 105.05 10.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.194 0.521 . . . . 0.0 110.695 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.449 ' HB ' ' HD2' ' A' ' 54' ' ' ARG . 12.3 t -149.97 138.65 12.53 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.66 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' B' ' 73' ' ' LYS . 93.0 Cg_endo -84.86 -158.27 0.09 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.709 2.273 . . . . 0.0 112.771 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' B' ' 72' ' ' PRO . 95.5 mttt 73.97 11.58 4.41 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.291 176.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -72.78 -30.79 64.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 76.9 t60 62.24 91.54 0.06 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.542 172.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.51 133.62 50.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.239 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.6 154.23 23.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.575 0.702 . . . . 0.0 112.412 -173.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -133.32 3.91 3.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.644 172.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -70.93 104.52 2.98 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 173.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -93.0 169.17 10.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.328 0.585 . . . . 0.0 111.758 -173.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -85.37 163.04 18.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.18 172.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -99.19 119.27 37.59 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.952 -0.547 . . . . 0.0 109.632 -179.184 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -68.21 98.04 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.625 2.216 . . . . 0.0 111.484 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.9 pt -83.5 -26.42 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.677 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -126.33 71.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.275 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 45.2 m 67.18 136.45 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.442 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -77.68 84.77 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.162 0.506 . . . . 0.0 110.481 178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 5' ' ' SER . 56.1 m-85 -88.69 171.29 10.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.209 176.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.8 112.58 8.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.759 175.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.92 -44.16 78.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.705 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 25.0 mm-40 -61.98 -45.83 91.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.435 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.572 ' O ' HG13 ' A' ' 15' ' ' ILE . 10.3 tt0 -63.61 -44.61 93.45 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.922 -175.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.37 -44.45 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.77 -39.99 95.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.438 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 73.3 mmtt -68.09 -41.61 81.59 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.872 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 11' ' ' GLN . 67.2 mt -60.89 -46.44 96.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.4 mt -59.68 -39.18 83.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.43 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.25 -44.93 93.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.084 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.29 -45.25 94.08 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.765 0.317 . . . . 0.0 110.696 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 87.9 t -62.46 -48.65 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.76 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.02 -45.58 91.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.269 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.51 -42.17 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.123 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD12 HG23 ' A' ' 33' ' ' THR . 73.1 mt -65.94 -42.21 90.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.538 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.2 -50.81 70.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.757 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -67.61 -29.49 68.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.35 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -82.68 -3.93 57.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.032 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.42 45.85 26.24 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.599 0.562 . . . . 0.0 110.329 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.45 117.63 8.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.992 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 m -58.1 152.96 37.66 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.607 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -52.14 -47.54 26.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.763 2.309 . . . . 0.0 112.857 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -57.43 -46.54 83.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.009 0.433 . . . . 0.0 110.074 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 tp -63.97 -51.46 64.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.746 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.469 HG23 HD12 ' A' ' 23' ' ' LEU . 40.3 m -54.21 -49.29 69.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.563 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD23 ' HB2' ' B' ' 61' ' ' PHE . 6.9 tt -72.92 -31.1 64.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.821 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -66.87 -35.83 80.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.7 mt -60.72 -42.07 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.307 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.92 89.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.071 0.463 . . . . 0.0 110.381 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.04 -39.14 93.0 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.186 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.62 -43.98 89.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 44' ' ' VAL . 81.8 mt -58.81 -57.0 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.391 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.64 74.54 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.351 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.5 m -54.91 -55.62 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.99 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -62.69 -40.73 98.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.62 0.248 . . . . 0.0 111.103 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 40' ' ' ILE . 97.6 t -65.78 -42.17 91.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 96.5 mt -66.38 -45.25 80.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.074 0.464 . . . . 0.0 110.642 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -68.78 -45.99 69.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.402 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -128.52 32.61 4.81 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -151.97 -48.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.065 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG22 HG23 ' A' ' 57' ' ' ILE . 2.6 p -81.11 152.85 4.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.435 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.49 139.57 58.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.47 76.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.918 0.39 . . . . 0.0 110.806 177.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 t -66.85 -23.76 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.348 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 5.6 tp-100 -97.1 -21.58 17.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.448 -178.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -52.21 -50.19 62.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.892 -167.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 6.8 tmtt? -71.63 -40.95 69.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.873 0.368 . . . . 0.0 110.357 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.34 -43.5 77.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.482 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.476 HG23 HG22 ' A' ' 49' ' ' VAL . 17.2 tt -71.2 -25.76 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.356 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.0 80.83 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.084 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 30.1 mm-40 -61.53 -43.72 98.34 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.927 174.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -58.11 -43.67 87.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.506 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.697 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 79.7 t80 -59.83 -54.17 49.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.588 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.09 -43.81 91.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.045 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.806 HE21 ' HA ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -61.54 -41.74 97.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.26 88.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.738 0.304 . . . . 0.0 110.417 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mp -58.35 -48.31 80.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.065 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.518 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.7 mmt -69.94 -34.02 72.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.758 -175.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.7 p -77.45 -26.52 51.57 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.382 -0.199 . . . . 0.0 111.452 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.0 p -105.39 10.98 33.22 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.063 0.459 . . . . 0.0 111.035 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.504 HD11 ' HB3' ' B' ' 54' ' ' ARG . 49.1 tp -78.58 131.86 36.91 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.751 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -70.36 94.19 0.92 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.088 0.47 . . . . 0.0 110.883 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 p -88.77 150.68 46.32 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.395 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -71.41 69.05 2.67 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.52 2.147 . . . . 0.0 112.584 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -93.51 11.85 27.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.16 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.1 p -76.84 88.04 3.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.661 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -130.52 86.71 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.581 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.7 tp -164.63 148.19 9.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.546 -176.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.3 103.59 9.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -101.96 32.02 3.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.708 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -97.4 -41.88 8.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.032 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -146.39 -34.38 0.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.17 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -67.18 -55.69 13.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.7 -176.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -127.12 84.64 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.617 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.414 177.376 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.457 ' O ' ' HE2' ' B' ' 6' ' ' LYS . 75.1 Cg_exo -51.79 -28.03 29.05 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.947 2.431 . . . . 0.0 113.129 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.7 pt -121.93 155.86 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.523 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 22.3 m 67.12 -81.93 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.673 0.608 . . . . 0.0 112.199 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -93.21 89.35 6.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.007 0.432 . . . . 0.0 111.084 -174.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.457 ' HE2' ' O ' ' B' ' 2' ' ' PRO . 67.6 mttt -112.21 14.13 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.726 178.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -114.02 -172.79 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -167.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -69.0 111.62 5.12 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.287 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.44 -37.9 70.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.192 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 37.4 tt0 -54.47 -57.62 10.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.47 178.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -61.42 -39.75 91.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.089 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.0 t -55.48 -50.04 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.96 -45.99 86.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.191 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 64.5 mmtt -66.7 -35.69 80.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.186 -174.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.403 ' O ' HG21 ' B' ' 19' ' ' VAL . 69.8 mt -69.48 -44.37 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 176.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.5 -38.03 71.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.481 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -63.77 -46.11 86.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.038 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 16.1 mm-40 -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.723 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.423 HG22 HG12 ' A' ' 19' ' ' VAL . 98.0 t -63.23 -42.74 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.248 177.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.2 74.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.74 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 50.0 mt -65.79 -34.8 78.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.052 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.533 HG13 HG22 ' A' ' 15' ' ' ILE . 45.7 t -66.97 -42.84 89.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.59 -44.0 95.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.17 176.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.81 -43.2 98.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.91 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -63.04 -43.33 98.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.17 -177.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -87.77 -4.41 58.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.567 -178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.02 47.69 14.4 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.323 0.583 . . . . 0.0 110.452 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.438 ' HA ' HD21 ' B' ' 32' ' ' LEU . . . -63.41 130.88 46.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.342 -0.845 . . . . 0.0 112.334 -176.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -69.49 155.63 93.17 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.985 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.15 -49.52 16.02 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.08 2.52 . . . . 0.0 113.358 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.36 -36.43 82.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.833 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.438 HD21 ' HA ' ' B' ' 28' ' ' ALA . 69.2 tp -62.77 -44.07 97.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 61.7 m -57.1 -51.06 70.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.281 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.83 -36.79 75.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.821 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.4 ttp -66.62 -32.58 74.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.99 0.424 . . . . 0.0 110.255 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 11.8 mt -63.16 -44.31 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 173.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.75 79.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.055 0.455 . . . . 0.0 110.524 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.79 -45.08 96.95 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.895 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -60.86 -39.15 88.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.36 0.124 . . . . 0.0 110.962 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.519 ' O ' HG21 ' B' ' 44' ' ' VAL . 76.4 mt -58.19 -57.79 9.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -55.48 -45.9 76.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.349 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 38.3 m -60.85 -43.1 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.288 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -60.78 -43.26 98.32 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.519 HG21 ' O ' ' B' ' 40' ' ' ILE . 58.5 t -62.55 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.614 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.5 mt -66.19 -22.7 66.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.908 -177.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -99.51 -40.59 7.77 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.944 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -105.37 -39.21 6.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -106.0 22.88 14.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -165.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 p -145.26 163.44 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.599 0.237 . . . . 0.0 110.531 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.9 147.88 42.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.019 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.531 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . . . -59.69 -39.44 84.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.008 -176.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -79.69 -18.1 52.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.117 0.484 . . . . 0.0 110.688 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.449 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 8.0 tp-100 -85.86 -22.09 27.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.528 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.531 ' NE ' ' HA ' ' B' ' 51' ' ' ALA . 65.4 mtt-85 -46.22 -58.38 3.72 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.605 0.566 . . . . 0.0 112.38 -171.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -71.28 -40.01 71.17 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.359 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.24 -51.51 69.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.449 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.0 tt -72.19 -20.94 20.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.735 -176.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -48.51 44.89 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.741 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -79.84 -25.34 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.691 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -58.26 -46.93 85.11 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 168.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.697 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 35.9 t80 -61.98 -51.1 69.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.005 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.51 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -57.64 -41.0 80.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.668 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -63.77 -44.93 91.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.53 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.13 95.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.756 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.32 -45.52 93.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.462 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.5 mmt -68.15 -31.87 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.047 0.451 . . . . 0.0 110.584 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 25.8 t -68.09 -32.06 72.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.774 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.7 t -104.33 13.19 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.436 -178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -80.43 135.12 36.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.851 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.72 96.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.251 0.548 . . . . 0.0 110.482 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.5 m -129.75 110.86 17.37 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.24 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.18 103.62 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.094 2.529 . . . . 0.0 111.86 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -85.37 71.99 10.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.333 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -116.43 160.26 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.628 -177.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -58.99 109.36 0.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.084 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 7.4 tt -102.99 -53.28 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -172.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -83.47 137.37 33.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.356 0.598 . . . . 0.0 111.368 -173.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -168.78 98.04 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.863 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . 0.62 ' HB3' ' HB3' ' B' ' 83' ' ' HIS . 19.9 p-80 -128.85 29.98 5.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -173.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -72.31 -48.74 39.85 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 168.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -74.62 125.39 28.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 158.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -48.33 126.67 11.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.606 0.717 . . . . 0.0 112.639 -167.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.62 ' HB3' ' HB3' ' B' ' 79' ' ' HIS . 9.7 t-160 . . . . . 0 C--O 1.248 0.985 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.101 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.538 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 59.1 mtt . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.789 0.328 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -92.71 40.78 0.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.339 2.693 . . . . 0.0 114.094 -173.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.538 ' CD1' ' HB3' ' A' ' 1' ' ' MET . 1.1 mp -96.9 -14.35 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.323 0.582 . . . . 0.0 109.443 176.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.38 149.71 45.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.655 -175.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -54.58 123.53 13.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.62 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -83.31 91.65 7.35 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.455 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -84.51 -170.25 3.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.049 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 25.1 m -62.93 114.98 3.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 173.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -35.48 80.95 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -174.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -67.22 -37.22 83.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.651 175.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.562 ' O ' HG13 ' A' ' 15' ' ' ILE . 33.6 tt0 -54.22 -55.54 27.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG23 HD13 ' B' ' 32' ' ' LEU . 42.5 t -58.0 -49.76 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.061 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -55.37 -45.07 76.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.345 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -31.54 60.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.274 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.58 HG22 HG12 ' B' ' 22' ' ' VAL . 76.2 mt -64.29 -46.88 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 174.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.87 -36.74 72.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.812 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.92 92.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.49 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.4 mm-40 -70.01 -43.22 71.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.433 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 15' ' ' ILE . 91.2 t -58.35 -45.87 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.706 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.75 98.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.641 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.4 tt -60.95 -37.05 81.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.377 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.515 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 77.4 t -63.2 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.091 0.472 . . . . 0.0 110.714 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.1 mt -69.1 -39.8 78.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.699 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -34.68 78.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.589 0.233 . . . . 0.0 111.075 175.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 52.4 mtpt -60.58 -19.73 58.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.288 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -121.17 6.73 10.24 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.438 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.26 46.83 25.95 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.13 0.49 . . . . 0.0 110.956 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 137.02 58.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.967 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.8 p -82.52 163.19 53.19 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.604 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.77 -39.51 89.25 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.386 2.057 . . . . 0.0 111.653 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.89 -51.03 66.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.57 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' ' 36' ' ' ILE . 54.6 tp -61.83 -40.82 96.64 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.632 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.3 m -57.11 -46.38 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.39 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.5 -30.4 64.48 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.463 ' HE2' HG12 ' B' ' 12' ' ' VAL . 55.5 ttp -68.2 -34.93 77.17 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.935 176.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' HG13 ' A' ' 40' ' ' ILE . 41.4 mm -56.91 -50.07 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.55 96.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.021 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -45.23 96.3 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.953 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -66.53 -34.44 77.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.57 0.185 . . . . 0.0 110.638 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 36' ' ' ILE . 67.6 mt -58.31 -54.68 29.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 173.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.539 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.32 -44.0 88.43 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.98 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.3 m -61.17 -45.19 95.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.886 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -58.88 -42.25 89.03 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.974 0.416 . . . . 0.0 110.238 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.7 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 69.9 t -62.21 -49.64 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.987 175.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 97.5 mt -60.54 -19.69 57.97 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.708 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.5 -59.41 2.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.777 0.323 . . . . 0.0 111.377 178.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -114.32 -31.72 6.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -169.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.7 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 41.7 mtt180 -96.95 15.83 21.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -168.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 53' ' ' GLN . 4.0 p -138.75 161.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.85 146.71 37.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -56.16 -42.0 76.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.946 0.403 . . . . 0.0 111.491 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.5 m -77.41 -2.69 36.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.443 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.852 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -107.12 -18.4 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.322 -0.236 . . . . 0.0 111.532 -176.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 66.3 mtt-85 -47.65 -63.21 1.12 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -171.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.48 ' HA ' HD12 ' B' ' 69' ' ' LEU . 8.8 tmtm? -69.14 -35.43 76.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.839 -174.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 56' ' ' LEU . 40.5 mt -67.51 -47.63 69.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.581 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.543 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 16.2 tt -68.1 -27.26 36.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.02 -178.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.49 83.0 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.76 174.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 57.3 mm-40 -64.2 -46.98 81.53 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.195 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.429 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 28.0 mtpp -53.97 -46.4 71.65 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.416 176.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.601 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 82.6 t80 -59.11 -50.98 71.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.044 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.45 -44.12 96.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.322 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -60.99 -40.64 94.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.052 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.15 -36.3 81.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.979 0.419 . . . . 0.0 110.682 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.8 tp -69.98 -40.75 75.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.701 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 23.6 mmt -70.56 -31.44 68.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.713 0.292 . . . . 0.0 111.533 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 p -79.06 -23.77 44.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.919 0.39 . . . . 0.0 110.84 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 m -91.39 -1.26 57.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.283 0.563 . . . . 0.0 110.172 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.663 HD13 ' HB3' ' B' ' 54' ' ' ARG . 59.7 tp -73.6 114.92 12.39 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.275 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -86.67 102.76 14.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 m -126.33 97.33 34.51 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.729 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.17 56.41 6.05 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.629 2.886 . . . . 0.0 113.064 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -88.46 20.31 3.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.172 0.511 . . . . 0.0 110.931 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.3 p -79.16 -14.2 59.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.718 -177.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -117.61 -0.2 11.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.796 0.331 . . . . 0.0 110.808 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 tp -161.56 118.26 2.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.81 158.31 15.55 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -80.64 119.95 23.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -67.78 86.67 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.637 0.732 . . . . 0.0 112.832 -169.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -109.75 11.7 24.35 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 168.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -87.72 173.39 9.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.348 -1.297 . . . . 0.0 110.801 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 72.56 105.81 0.07 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 124.053 0.846 . . . . 0.0 111.1 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 . . . . . 0 C--O 1.242 0.687 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.828 178.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.99 83.22 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.766 2.311 . . . . 0.0 112.844 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.9 mt -134.21 136.41 53.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.109 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.4 t -66.49 86.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.124 0.964 . . . . 0.0 111.198 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.591 ' O ' ' HB3' ' B' ' 6' ' ' LYS . 70.2 m -160.36 -169.96 2.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.662 -1.153 . . . . 0.0 108.288 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.591 ' HB3' ' O ' ' B' ' 5' ' ' SER . 29.2 ttpt 74.69 12.23 3.74 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 122.144 0.973 . . . . 0.0 109.384 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -112.82 160.07 18.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.157 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.507 ' HB ' ' CB ' ' B' ' 11' ' ' GLN . 10.8 m -62.99 113.59 3.18 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 174.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.31 -47.5 83.52 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.872 0.367 . . . . 0.0 111.056 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 2.6 tt0 -57.59 -41.33 80.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.511 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.508 ' O ' HG13 ' B' ' 15' ' ' ILE . 7.8 tt0 -63.11 -37.66 88.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.13 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.463 HG12 ' HE2' ' A' ' 35' ' ' MET . 98.9 t -57.96 -45.79 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.97 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.14 -35.53 81.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.423 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 34.3 mmtp -64.55 -43.8 92.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.621 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.508 HG13 ' O ' ' B' ' 11' ' ' GLN . 76.2 mt -60.72 -46.21 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.498 HD22 HG23 ' A' ' 36' ' ' ILE . 89.8 mt -57.26 -43.6 83.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.574 177.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.48 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -61.21 -46.35 90.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.85 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.507 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.3 mt-10 -59.2 -46.53 88.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.617 178.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.453 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 98.7 t -62.05 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.761 178.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.07 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 50.2 mt -69.92 -32.44 70.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.972 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.58 HG12 HG22 ' A' ' 15' ' ' ILE . 85.6 t -64.41 -40.53 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.354 0.597 . . . . 0.0 109.497 174.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 67.2 mt -62.36 -52.17 64.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.124 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.89 -34.54 76.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.944 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -58.86 -32.83 69.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.419 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -106.6 8.72 31.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.706 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.5 35.08 17.69 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.305 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' B' ' 23' ' ' LEU . . . -61.18 129.73 42.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.398 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.6 p -72.66 164.61 58.89 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.407 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.89 -35.65 89.61 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.325 2.017 . . . . 0.0 111.505 173.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.94 -52.84 63.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.464 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.506 ' HA ' ' HE2' ' B' ' 35' ' ' MET . 49.5 tp -65.21 -34.82 79.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.374 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 94.4 m -55.13 -54.64 40.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.972 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tt -73.19 -31.68 64.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.444 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.506 ' HE2' ' HA ' ' B' ' 32' ' ' LEU . 24.8 ttm -57.95 -44.66 87.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.421 0.629 . . . . 0.0 110.016 176.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.495 ' O ' HG13 ' B' ' 40' ' ' ILE . 50.2 mt -66.76 -37.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.196 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.06 -41.58 83.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.058 0.456 . . . . 0.0 110.558 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.81 -41.29 97.61 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.04 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -58.79 -40.4 83.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.653 0.263 . . . . 0.0 110.547 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 36' ' ' ILE . 76.7 mt -60.07 -57.56 11.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.574 178.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.518 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -54.96 -43.8 73.8 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 123.168 0.293 . . . . 0.0 111.351 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.1 m -65.32 -44.78 86.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.331 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.77 -32.84 74.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 110.443 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.464 HG22 ' O ' ' B' ' 40' ' ' ILE . 80.8 t -63.73 -44.28 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 96.8 mt -61.6 -34.02 74.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.712 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -73.65 -50.42 21.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.26 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -110.48 -67.11 1.01 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -172.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.03 49.2 1.48 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -168.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.42 ' CG1' ' HA ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -163.38 164.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.612 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.56 146.66 23.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.259 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.13 -39.38 72.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 111.39 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.1 t -67.2 -19.9 65.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.946 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -97.42 -18.94 18.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.912 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.663 ' HB3' HD13 ' A' ' 69' ' ' LEU . 95.2 mtt180 -51.39 -58.31 6.58 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.553 ' HE2' ' HB2' ' B' ' 59' ' ' GLU . 10.2 tptm -62.89 -45.06 94.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.956 -178.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.79 -50.23 71.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.746 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 16.5 tt -70.36 -30.88 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.361 -172.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.91 -41.36 59.87 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.049 0.452 . . . . 0.0 110.439 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . 0.553 ' HB2' ' HE2' ' B' ' 55' ' ' LYS . 38.8 tt0 -66.8 -41.87 86.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.105 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -66.91 -29.79 69.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.327 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.601 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 86.9 t80 -67.8 -49.1 64.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.191 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -58.7 -40.69 84.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.726 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.14 -48.63 80.9 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.577 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.97 81.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.001 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 29.0 tp -66.75 -34.3 77.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.358 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.2 mmt -73.68 -24.51 59.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.079 0.466 . . . . 0.0 110.007 176.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.2 t -73.57 -36.53 65.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.303 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.7 p -91.24 -7.28 51.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.115 0.483 . . . . 0.0 111.062 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 55' ' ' LYS . 7.0 tt -63.65 124.91 22.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.183 178.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 142.74 42.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.492 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 21.3 p -106.47 145.37 30.88 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.721 -173.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.66 86.64 0.7 Allowed 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.91 2.407 . . . . 0.0 111.621 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.446 ' C ' ' HG1' ' B' ' 74' ' ' THR . 26.6 mtmt -89.73 28.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.558 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' THR . . . . . 0.446 ' HG1' ' C ' ' B' ' 73' ' ' LYS . 41.9 p 51.79 -93.9 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.291 1.036 . . . . 0.0 112.775 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -144.89 130.11 18.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.303 -0.248 . . . . 0.0 110.961 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 50.7 tp -79.32 96.57 6.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 160.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.41 98.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 O-C-N 124.406 1.066 . . . . 0.0 113.695 -160.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -150.27 128.07 11.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.304 -1.316 . . . . 0.0 107.791 172.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 30.3 p80 48.02 104.27 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.311 1.007 . . . . 0.0 112.766 -176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -58.27 -31.76 67.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.615 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -59.8 121.83 12.68 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -76.43 -69.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.799 -174.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 3.8 m80 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.198 -178.221 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.928 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 53.7 ttm . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 119.557 -0.259 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.928 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 4.9 Cg_exo -80.43 125.41 5.68 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.96 1.773 . . . . 0.0 111.589 177.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -76.43 -35.24 26.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -171.83 150.6 2.66 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 p -160.89 -155.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.532 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 tttm 71.02 21.27 4.97 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.796 0.808 . . . . 0.0 110.233 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.567 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 65.3 m-85 -96.01 151.91 19.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.738 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.607 ' HB ' ' HG2' ' A' ' 11' ' ' GLN . 58.9 m -67.84 123.36 20.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 173.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.41 -38.67 74.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.445 -175.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.611 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.5 mm-40 -52.3 -47.14 66.11 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 176.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.607 ' HG2' ' HB ' ' A' ' 8' ' ' THR . 11.8 mm100 -55.95 -50.71 70.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.458 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.473 HG22 HD11 ' B' ' 32' ' ' LEU . 45.0 t -61.65 -50.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.934 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.64 -43.29 93.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.631 -174.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 67.9 mmtt -75.35 -38.5 60.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.149 -174.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.437 ' O ' HG21 ' A' ' 19' ' ' VAL . 76.3 mt -63.53 -49.78 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.401 HD23 HG22 ' B' ' 36' ' ' ILE . 80.9 mt -56.03 -40.98 74.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.806 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.88 52.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.162 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.546 ' O ' HG21 ' A' ' 22' ' ' VAL . 28.1 mt-10 -65.08 -40.56 94.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.32 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.573 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 71.3 t -60.99 -50.31 81.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.584 0.23 . . . . 0.0 110.792 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' HA ' HD13 ' A' ' 23' ' ' LEU . . . -62.52 -36.28 82.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.64 -43.19 97.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 177.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 18' ' ' GLU . 84.7 t -61.57 -39.17 82.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.658 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 45.7 mt -59.47 -51.86 68.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.179 176.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.84 -26.62 65.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.216 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.27 -38.9 92.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.762 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -99.69 7.86 44.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.91 43.02 22.09 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.492 0.495 . . . . 0.0 111.297 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.466 ' HA ' HD21 ' A' ' 32' ' ' LEU . . . -65.1 132.29 48.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.605 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 m -75.05 163.88 65.11 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.089 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -50.08 14.39 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.66 2.24 . . . . 0.0 112.76 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -59.65 -41.93 91.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.772 0.32 . . . . 0.0 110.585 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 28' ' ' ALA . 39.8 tp -62.0 -49.29 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.223 177.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.45 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 54.0 m -57.27 -50.85 71.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.771 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tt -68.85 -33.81 74.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.026 -175.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.475 ' HG3' HG23 ' B' ' 4' ' ' THR . 14.6 tmm? -63.7 -35.58 81.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.638 ' O ' HG12 ' A' ' 40' ' ' ILE . 67.4 mt -60.52 -46.57 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.4 175.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.38 92.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.024 0.44 . . . . 0.0 110.844 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.8 95.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.822 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -61.14 -41.48 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 176.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 36' ' ' ILE . 48.6 mm -57.18 -62.03 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.065 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.6 75.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.707 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.3 m -57.03 -49.08 76.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.954 0.406 . . . . 0.0 110.606 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -68.48 -40.23 81.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.302 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 40' ' ' ILE . 85.5 t -60.01 -47.4 91.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.725 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.977 HD13 HD11 ' B' ' 69' ' ' LEU . 88.0 mt -63.64 -40.59 97.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.49 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -79.36 -16.08 56.85 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -124.41 -63.55 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -175.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -104.94 62.96 0.7 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 -169.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 2.9 p -168.84 150.54 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 172.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.19 135.64 53.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.985 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.96 80.68 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.216 0.323 . . . . 0.0 111.754 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.3 m -68.86 -39.42 79.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.156 0.503 . . . . 0.0 110.247 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -78.27 -23.31 47.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.234 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -53.34 -48.61 68.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.748 -1.114 . . . . 0.0 112.923 -170.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.929 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -70.07 -45.28 67.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.858 0.361 . . . . 0.0 110.485 -176.713 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -65.96 -45.07 83.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.246 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.7 tt -67.43 -26.16 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.373 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HB1' ' HE1' ' B' ' 66' ' ' MET . . . -74.37 -44.03 53.96 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.853 175.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -44.99 96.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.161 0.505 . . . . 0.0 110.365 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -64.85 -35.26 80.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.603 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.411 ' HE1' ' CA ' ' B' ' 38' ' ' GLY . 66.0 t80 -59.91 -52.06 67.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.402 175.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.27 96.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.737 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.41 HE21 ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -59.73 -47.74 84.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.175 178.727 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.41 ' N ' HE21 ' A' ' 63' ' ' GLN . . . -64.62 -39.66 94.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.911 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 tp -66.0 -47.16 75.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.0 tpp -71.23 -31.8 68.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.1 -176.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.8 p -77.2 -31.81 55.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.7 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 m -86.29 -1.06 57.16 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.531 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' B' ' 54' ' ' ARG . 62.8 tp -72.62 115.12 11.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -92.98 102.39 14.74 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.325 0.583 . . . . 0.0 111.144 -174.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 76.3 p -96.4 160.34 29.89 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.067 176.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -79.81 -3.77 13.01 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.374 2.049 . . . . 0.0 112.17 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 62.9 110.16 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.172 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -74.53 148.26 41.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.86 -175.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -99.69 100.61 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.676 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.4 mt -95.5 -16.3 22.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.982 0.42 . . . . 0.0 110.496 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.3 97.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.46 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -141.04 118.75 11.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.064 0.459 . . . . 0.0 110.809 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.06 130.74 18.97 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 174.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -95.86 152.4 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.357 0.599 . . . . 0.0 111.499 -170.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.22 78.65 1.85 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.898 174.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -71.57 -30.14 65.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.069 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.231 -0.89 . . . . 0.0 109.836 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.928 0.394 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -87.56 173.03 5.53 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.708 2.272 . . . . 0.0 111.573 171.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -54.09 39.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.258 0.551 . . . . 0.0 111.192 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.475 HG23 ' HG3' ' A' ' 35' ' ' MET . 9.6 m -71.22 -23.76 62.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.177 -0.92 . . . . 0.0 112.142 -175.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m 66.34 -87.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.743 -176.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 52.1 tttp 179.44 -44.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -174.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.418 ' O ' ' HG2' ' B' ' 6' ' ' LYS . 83.0 m-85 59.38 -164.43 0.21 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.848 -173.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.565 ' HB ' ' HG3' ' B' ' 11' ' ' GLN . 27.1 m -79.78 111.58 16.23 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 168.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.94 -28.11 69.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.937 -173.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.26 -30.21 68.28 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.8 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.565 ' HG3' ' HB ' ' B' ' 8' ' ' THR . 22.7 mt-30 -64.22 -48.33 76.28 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.438 HG21 HD12 ' A' ' 32' ' ' LEU . 61.0 t -55.13 -50.59 62.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.434 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -54.59 -47.52 73.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.327 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -66.83 -36.6 82.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.556 HG13 ' O ' ' B' ' 11' ' ' GLN . 58.8 mt -67.42 -49.1 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 99.1 mt -56.27 -42.33 77.27 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.701 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -52.04 66.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.256 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.514 ' O ' HG22 ' B' ' 22' ' ' VAL . 46.0 mt-10 -67.82 -38.45 83.27 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.136 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.488 ' O ' HD13 ' B' ' 23' ' ' LEU . 65.3 t -64.69 -53.39 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.583 0.23 . . . . 0.0 111.178 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.32 -30.27 71.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.954 0.407 . . . . 0.0 110.871 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 tt -65.61 -35.21 80.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.533 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.514 HG22 ' O ' ' B' ' 18' ' ' GLU . 71.0 t -68.49 -43.6 83.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.2 0.524 . . . . 0.0 109.845 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.488 HD13 ' O ' ' B' ' 19' ' ' VAL . 4.7 mp -57.61 -48.87 78.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.865 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.38 -47.47 67.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.442 -176.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -68.92 -21.65 64.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -96.46 3.37 52.82 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.964 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.79 48.18 14.2 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.198 0.523 . . . . 0.0 111.004 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.1 123.37 21.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.865 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -58.37 151.44 49.04 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.164 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.61 -48.34 21.87 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.742 2.295 . . . . 0.0 113.058 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.567 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -65.03 -41.86 94.88 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.473 HD11 HG22 ' A' ' 12' ' ' VAL . 54.8 tp -61.43 -42.2 98.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.329 177.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 96.6 m -53.18 -45.99 68.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.752 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tt -75.7 -34.99 60.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.667 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.7 ttp -66.55 -32.16 73.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.94 0.4 . . . . 0.0 110.393 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.414 ' O ' HG13 ' B' ' 40' ' ' ILE . 47.8 mt -64.88 -42.27 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.259 175.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.424 ' HA ' HD11 ' B' ' 40' ' ' ILE . . . -60.48 -36.23 77.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.267 175.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.411 ' CA ' ' HE1' ' A' ' 61' ' ' PHE . . . -64.18 -41.78 98.23 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.071 175.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -61.21 -40.22 93.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.607 0.242 . . . . 0.0 110.376 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' B' ' 37' ' ' ALA . 84.8 mt -55.67 -58.65 4.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.06 175.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.509 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -56.0 -46.38 78.74 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.49 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 67.0 m -56.49 -53.78 53.44 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.939 0.4 . . . . 0.0 111.172 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.44 -37.16 86.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 40' ' ' ILE . 69.4 t -68.21 -44.51 84.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.835 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.541 ' O ' HG11 ' B' ' 49' ' ' VAL . 94.1 mt -62.4 -45.14 94.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.873 0.368 . . . . 0.0 111.371 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -81.08 -23.08 38.71 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -125.87 -23.49 3.97 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -173.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.416 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 82.3 mtt180 -118.84 -6.93 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -171.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.541 HG11 ' O ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -119.61 162.96 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.631 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . 0.552 ' HB1' ' HB2' ' B' ' 53' ' ' GLN . . . -65.36 138.56 58.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.461 -177.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.92 94.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -66.15 -26.39 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.353 0.597 . . . . 0.0 110.61 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.552 ' HB2' ' HB1' ' B' ' 50' ' ' ALA . 8.2 tp60 -92.87 -17.48 24.0 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.441 -171.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.795 ' HB3' HD11 ' A' ' 69' ' ' LEU . 91.8 mtt180 -50.06 -59.97 3.39 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -172.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 9.7 tmtt? -68.86 -34.73 75.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.004 0.431 . . . . 0.0 110.464 -175.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.31 -47.79 54.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.833 -175.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.406 HG23 ' O ' ' B' ' 53' ' ' GLN . 16.8 tt -73.21 -32.21 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.66 -176.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.51 -35.02 78.3 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.156 0.503 . . . . 0.0 109.991 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.31 -49.9 69.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.675 176.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -58.91 -42.21 89.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.16 -47.84 80.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.837 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -64.23 -45.41 88.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.273 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -45.01 96.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.76 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.93 99.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.749 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.02 -37.97 89.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.918 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.553 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.6 mmt -71.86 -24.32 61.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.044 0.45 . . . . 0.0 110.57 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 24.4 m -82.13 -26.03 33.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.839 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.9 p -95.8 3.58 53.63 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.464 0.649 . . . . 0.0 110.288 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.977 HD11 HD13 ' A' ' 45' ' ' LEU . 9.6 tt -90.4 107.18 18.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.131 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.23 131.68 39.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -127.2 86.18 59.32 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.495 0.664 . . . . 0.0 111.806 -171.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -94.48 99.84 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 122.92 2.413 . . . . 0.0 112.315 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -139.55 156.13 47.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.841 0.353 . . . . 0.0 110.334 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.1 p -67.06 125.51 26.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.216 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -100.12 14.13 31.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.337 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.2 mt -128.95 72.09 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.781 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -86.15 -14.52 43.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.632 0.73 . . . . 0.0 109.07 175.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -81.98 107.97 15.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.461 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -161.94 140.0 8.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.887 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -130.46 103.7 6.81 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -79.77 158.4 26.87 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 65.72 82.71 0.18 Allowed 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.769 0.668 . . . . 0.0 109.865 -171.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 22.5 p80 . . . . . 0 C--O 1.245 0.85 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.521 -179.478 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.835 0.35 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.69 168.28 9.72 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.803 2.336 . . . . 0.0 112.607 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -121.37 -151.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.277 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.824 ' HA ' ' HB2' ' B' ' 31' ' ' GLU . 23.8 m -43.78 111.56 0.3 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.741 0.651 . . . . 0.0 111.632 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.523 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 6.1 m -80.99 161.7 24.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.118 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -69.93 -42.92 72.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.91 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 67.1 m-85 59.69 -167.86 0.16 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.368 -178.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.0 t -111.11 140.14 45.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.797 174.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -62.22 -31.48 72.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.284 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 7.5 tp10 -59.7 -53.59 56.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.51 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.494 ' O ' HG13 ' A' ' 15' ' ' ILE . 54.0 tt0 -62.15 -46.78 87.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.664 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG23 HD11 ' B' ' 32' ' ' LEU . 57.4 t -61.64 -41.67 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.687 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.57 -45.27 81.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 67.6 mmtt -63.69 -42.18 98.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.531 -176.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 11' ' ' GLN . 39.7 mt -63.82 -51.96 63.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.089 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' CD2' HG22 ' B' ' 36' ' ' ILE . 85.5 mt -56.94 -41.36 78.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.308 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.44 93.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.321 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' HG21 ' A' ' 22' ' ' VAL . 39.2 mt-10 -76.16 -32.0 58.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.327 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.519 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 78.1 t -60.86 -46.88 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 174.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.58 -31.83 73.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.671 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.19 -39.4 92.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.212 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 18' ' ' GLU . 99.8 t -65.49 -41.22 90.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.22 177.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 62.7 mt -61.1 -49.66 76.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.28 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -60.14 -39.11 85.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.437 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -58.08 -43.88 87.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.205 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -94.77 7.81 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.595 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.93 42.54 28.63 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.425 0.631 . . . . 0.0 110.45 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -63.17 115.75 4.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.185 -176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 p -63.09 157.83 59.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.631 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.454 ' HB3' ' O ' ' B' ' 48' ' ' ARG . 72.3 Cg_exo -50.35 -45.0 36.27 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.897 2.398 . . . . 0.0 112.406 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.669 ' HB3' ' HB ' ' B' ' 4' ' ' THR . 41.8 mt-10 -64.33 -45.57 87.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 28' ' ' ALA . 53.8 tp -61.19 -45.08 96.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.246 177.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.465 HG21 HD11 ' A' ' 23' ' ' LEU . 93.7 m -55.67 -51.56 66.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.481 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.24 -30.79 65.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.606 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -67.45 -36.12 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.105 0.478 . . . . 0.0 110.05 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.44 HG23 HD23 ' B' ' 16' ' ' LEU . 34.6 mt -61.08 -45.68 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.439 174.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.28 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.25 -44.2 98.41 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.897 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -59.76 -46.84 87.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 44' ' ' VAL . 85.1 mt -53.58 -58.79 2.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.92 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -178.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.0 m -62.45 -42.74 99.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.399 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -37.53 85.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.917 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 40' ' ' ILE . 86.2 t -65.73 -49.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.42 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.15 -45.78 86.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.73 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -77.72 -22.79 49.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.776 -174.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -106.81 -71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -112.59 79.18 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -168.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 p -172.42 159.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.88 125.07 24.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.462 0.173 . . . . 0.0 110.546 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.75 67.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.363 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 p -73.81 -16.91 61.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 0.0 111.051 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.472 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 8.6 tp-100 -97.5 -13.86 21.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.573 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -51.89 -61.84 2.0 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -174.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -57.46 -44.77 85.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.711 0.291 . . . . 0.0 111.264 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 57.8 mt -62.74 -51.05 68.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.637 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.472 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 13.8 tt -72.61 -22.91 20.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.827 -174.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.68 -36.0 60.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.108 0.48 . . . . 0.0 109.94 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -48.34 78.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.697 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 88.5 mttt -59.06 -41.7 88.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.238 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.464 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 83.0 t80 -58.74 -55.96 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.699 177.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.14 85.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -64.88 -36.26 83.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.74 95.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.695 0.283 . . . . 0.0 110.597 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp -57.63 -41.92 82.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.983 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.515 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . 54.7 mtt -85.18 -13.6 49.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.352 -175.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.8 t -82.82 -38.22 23.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.279 0.561 . . . . 0.0 109.49 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -97.65 14.82 25.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.724 HD22 ' HG2' ' B' ' 55' ' ' LYS . 23.7 tp -76.97 67.24 2.94 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.574 177.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -82.13 101.44 10.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.904 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.613 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 18.5 m -72.1 128.82 88.63 Favored Pre-proline 0 N--CA 1.446 -0.664 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 171.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -42.61 103.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.526 2.817 . . . . 0.0 113.762 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 71' ' ' THR . 94.2 mttt -118.23 -177.92 3.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.192 176.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.442 ' HG1' ' HB3' ' A' ' 77' ' ' GLU . 9.1 t -90.57 124.07 34.74 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.05 0.452 . . . . 0.0 110.064 177.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -103.47 -78.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.8 mt -124.29 81.19 1.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' HB3' ' HG1' ' A' ' 74' ' ' THR . 39.9 tt0 -126.5 90.19 3.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.807 -173.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -164.15 43.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.678 0.752 . . . . 0.0 109.166 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -137.48 13.86 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.873 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -68.8 -44.7 73.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 169.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -121.73 110.58 16.12 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 163.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -80.86 70.22 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.948 0.88 . . . . 0.0 111.768 -169.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 C--O 1.245 0.854 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.267 176.727 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.6 mtp . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.74 110.12 0.52 Allowed 'Trans proline' 0 C--O 1.238 0.493 0 C-N-CA 123.027 2.485 . . . . 0.0 113.357 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.0 tp -149.87 111.97 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.303 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' THR . . . . . 0.669 ' HB ' ' HB3' ' A' ' 31' ' ' GLU . 5.0 t -62.89 -27.22 69.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.672 -176.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m 63.99 -77.83 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 O-C-N 123.68 0.613 . . . . 0.0 110.719 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -179.74 -25.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.229 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 62.15 -154.6 0.35 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.274 -177.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.491 ' HB ' ' HB3' ' B' ' 11' ' ' GLN . 4.8 m -62.03 111.36 1.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -64.26 -40.44 96.0 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -170.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.536 ' HG2' ' HD3' ' B' ' 14' ' ' LYS . 18.7 tt0 -70.0 -36.66 75.3 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.382 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.54 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.6 tt0 -61.68 -46.22 90.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.342 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.8 -44.39 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.316 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -54.98 -46.28 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.485 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.536 ' HD3' ' HG2' ' B' ' 10' ' ' GLU . 1.4 mptm? -65.36 -42.91 92.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.558 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.54 HG13 ' O ' ' B' ' 11' ' ' GLN . 64.8 mt -63.69 -42.34 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.44 HD23 HG23 ' A' ' 36' ' ' ILE . 91.7 mt -59.26 -42.84 92.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.359 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.49 99.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.933 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.454 ' O ' HG22 ' B' ' 22' ' ' VAL . 45.2 mt-10 -62.96 -46.7 86.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.91 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.483 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 81.5 t -59.86 -45.06 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.367 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.502 ' HA ' HD11 ' B' ' 23' ' ' LEU . . . -60.76 -36.02 77.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.086 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 55.0 mt -69.41 -32.4 71.36 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.983 177.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.454 HG22 ' O ' ' B' ' 18' ' ' GLU . 96.3 t -63.47 -40.17 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.502 HD11 ' HA ' ' B' ' 20' ' ' ALA . 39.0 mt -62.86 -53.3 56.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.023 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.11 -35.9 78.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.904 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' B' ' 21' ' ' LEU . 13.4 tmtt? -68.41 -24.53 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.817 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -110.41 11.89 23.13 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.35 -0.218 . . . . 0.0 111.388 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.26 47.85 13.53 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.627 0.579 . . . . 0.0 111.292 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' B' ' 23' ' ' LEU . . . -85.85 115.43 23.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.923 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.709 ' HB2' ' OE2' ' B' ' 31' ' ' GLU . 4.7 m -69.47 161.76 71.57 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.344 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 9.4 Cg_endo -52.96 -41.14 73.35 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.156 2.571 . . . . 0.0 113.653 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.824 ' HB2' ' HA ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -69.1 -40.41 78.41 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.266 -178.136 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 57.0 tp -62.81 -42.23 99.63 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 172.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' B' ' 30' ' ' PRO . 53.5 m -53.29 -47.75 68.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.173 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.11 -37.21 78.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.53 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.1 ttp -65.54 -32.57 74.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.124 0.488 . . . . 0.0 109.98 176.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.437 HG22 ' CD2' ' A' ' 16' ' ' LEU . 34.6 mt -64.36 -43.08 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.765 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.59 79.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.556 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.19 99.73 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.799 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -60.35 -44.11 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.548 0.213 . . . . 0.0 110.601 176.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.47 ' O ' HG23 ' B' ' 44' ' ' VAL . 77.2 mt -56.89 -59.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.53 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -55.15 -48.71 73.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.656 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 34.5 m -61.09 -44.85 96.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.481 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' B' ' 47' ' ' GLN . 80.4 m-20 -65.1 -36.09 83.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.536 0.207 . . . . 0.0 110.785 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.47 HG23 ' O ' ' B' ' 40' ' ' ILE . 74.2 t -63.6 -43.82 98.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.7 0.286 . . . . 0.0 110.239 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 94.4 mt -63.22 -28.58 70.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.235 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -73.17 -47.77 40.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.472 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' B' ' 43' ' ' ASN . 10.0 pt20 -115.81 -62.56 1.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -172.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 93.8 mtt180 -85.96 59.16 5.46 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' B' ' 45' ' ' LEU . 8.0 p -166.56 152.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 172.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 131.75 51.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.155 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.23 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.4 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -75.88 -13.33 60.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.827 0.346 . . . . 0.0 111.623 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.485 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.9 tp-100 -96.29 -16.54 21.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.422 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -48.37 -56.21 8.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -172.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.724 ' HG2' HD22 ' A' ' 69' ' ' LEU . 47.6 mtpt -75.89 -35.01 59.98 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.329 -175.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -65.5 -47.37 76.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.97 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.485 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 15.1 tt -71.06 -27.15 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.902 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.09 -39.02 72.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.09 0.471 . . . . 0.0 110.282 176.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -65.03 -46.78 79.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 175.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.27 -38.45 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.574 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . 0.464 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 74.5 t80 -67.36 -48.44 67.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.003 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.71 94.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.307 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -67.9 -33.29 74.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.385 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.61 94.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.742 0.306 . . . . 0.0 110.404 176.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.63 -44.83 95.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.196 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mmt -71.2 -29.89 65.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.432 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.9 p -84.59 -24.95 28.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.702 0.287 . . . . 0.0 111.067 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 18.2 m -94.3 2.02 55.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.372 0.606 . . . . 0.0 110.241 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 tp -72.86 116.4 13.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.625 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -76.26 97.27 4.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.308 0.575 . . . . 0.0 111.861 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' THR . . . . . 0.449 ' O ' ' HG3' ' B' ' 73' ' ' LYS . 9.9 t -69.29 142.1 92.06 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.078 170.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.2 106.44 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.846 2.364 . . . . 0.0 112.166 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' B' ' 71' ' ' THR . 58.2 mttp -95.32 144.3 25.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.764 -177.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.28 121.38 16.74 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.58 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -87.34 130.62 34.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.992 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.91 -31.05 72.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.364 0.602 . . . . 0.0 109.875 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.62 28.93 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.213 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -61.47 -30.32 70.52 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.764 0.316 . . . . 0.0 110.847 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -89.29 101.21 13.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -124.09 179.47 4.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.693 -175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -98.9 159.2 15.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -160.14 134.14 7.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 71.2 m80 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.076 178.391 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.528 ' HG3' ' OE1' ' A' ' 53' ' ' GLN . 65.1 ttp . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.37 109.94 1.48 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.692 2.262 . . . . 0.0 111.162 174.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 tp -84.09 135.1 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.569 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 m -76.35 140.37 41.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.106 -177.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 t -145.32 160.88 40.85 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -89.85 -9.52 48.76 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.402 ' HB3' ' H ' ' A' ' 8' ' ' THR . 98.4 m-85 55.23 -152.09 0.37 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.233 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.738 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 18.8 m -88.69 131.5 34.98 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.63 -60.82 2.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.529 -175.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 42.3 mt-10 -64.51 -27.99 69.35 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.328 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.738 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 59.0 tt0 -58.63 -51.99 67.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 48.9 t -64.85 -51.35 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.703 177.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.525 ' HA ' HD12 ' A' ' 16' ' ' LEU . 34.6 tt0 -65.03 -37.45 87.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.375 -172.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -76.97 -32.29 57.17 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.038 -178.103 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.8 -42.17 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.584 HD23 HG22 ' B' ' 36' ' ' ILE . 91.9 mt -56.31 -46.25 79.9 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.22 174.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.7 88.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.687 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' O ' HG21 ' A' ' 22' ' ' VAL . 43.4 mt-10 -66.52 -44.89 81.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.64 0.257 . . . . 0.0 110.535 177.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 87.0 t -59.62 -46.87 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.115 0.483 . . . . 0.0 110.298 176.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HA ' HD13 ' A' ' 23' ' ' LEU . . . -61.49 -33.61 74.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.81 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.7 tp -69.1 -38.43 78.95 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.478 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 18' ' ' GLU . 97.0 t -62.12 -36.58 75.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.548 0.69 . . . . 0.0 109.397 176.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 73.7 mt -63.78 -51.33 65.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.086 175.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.95 -38.15 90.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.68 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -51.82 -42.13 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.294 175.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -99.25 7.06 46.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.05 40.13 31.83 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.834 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.37 131.37 50.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.627 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.1 m -76.85 162.16 71.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.988 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -48.48 -47.16 21.2 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.295 2.663 . . . . 0.0 113.709 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HB2' ' OH ' ' B' ' 7' ' ' TYR . 41.3 mt-10 -61.44 -47.56 85.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD1' HG21 ' B' ' 12' ' ' VAL . 47.2 tp -58.93 -40.51 84.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.299 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.447 HG21 HD12 ' A' ' 23' ' ' LEU . 92.9 m -55.35 -52.92 61.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.335 177.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 tt -73.35 -31.94 64.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.538 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.6 ttm -60.0 -42.13 93.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.318 0.58 . . . . 0.0 110.1 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.593 HG21 HD23 ' B' ' 16' ' ' LEU . 71.4 mt -64.45 -40.03 87.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.758 178.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.99 83.27 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.99 0.424 . . . . 0.0 110.388 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.13 -40.74 95.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.147 177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -61.33 -39.71 91.54 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 36' ' ' ILE . 77.6 mt -59.3 -55.31 24.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.289 176.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -54.03 -50.95 65.52 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.56 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.9 p -62.7 -48.33 79.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -34.0 75.68 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 111.1 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 40' ' ' ILE . 76.9 t -66.34 -44.76 90.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.225 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 86.7 mt -59.09 -49.14 79.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.219 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -53.55 -57.58 10.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.735 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -98.02 -44.36 6.68 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -167.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -92.8 -37.01 12.55 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.458 0.911 . . . . 0.0 113.458 -166.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.536 HG23 ' HB3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -91.3 151.26 3.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.338 -173.203 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.27 156.61 29.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.385 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.99 84.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.45 178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 t -64.3 -31.54 72.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.26 0.552 . . . . 0.0 110.342 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.536 ' HB3' HG23 ' A' ' 49' ' ' VAL . 10.3 tp60 -82.79 -21.54 34.53 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.123 -174.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -43.68 -60.01 1.97 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.05 0.844 . . . . 0.0 112.644 -173.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -59.72 -49.79 76.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.051 0.453 . . . . 0.0 111.164 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.5 mt -66.51 -47.23 73.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.278 -174.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.906 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 15.8 tt -68.74 -30.15 46.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.799 -175.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.93 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.341 . . . . 0.0 110.667 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -73.88 -32.01 63.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.893 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.906 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 48.3 mtpt -53.74 -46.98 71.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.314 0.578 . . . . 0.0 109.883 170.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' HB2' HD23 ' B' ' 34' ' ' LEU . 57.9 t80 -60.66 -53.05 62.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.409 177.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.99 -42.78 99.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.71 -176.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -60.32 -53.8 53.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.674 0.273 . . . . 0.0 110.567 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.43 -35.41 70.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.759 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -69.96 -40.78 75.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.587 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 23.2 mmt -73.43 -32.97 64.69 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -71.83 -22.03 61.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.007 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.9 m -105.04 7.46 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.097 0.475 . . . . 0.0 110.745 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD11 HD11 ' B' ' 45' ' ' LEU . 58.6 tp -80.11 87.37 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.988 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -68.57 99.58 1.0 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.189 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.464 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 22.2 m -108.86 135.09 20.15 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.311 176.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 71' ' ' THR . 16.1 Cg_exo -69.75 38.1 0.25 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.203 2.602 . . . . 0.0 113.245 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' A' ' 71' ' ' THR . 51.2 mttp -137.71 22.17 2.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.038 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.8 p -63.23 -49.15 75.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.427 176.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -137.24 113.87 10.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.488 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.5 mt -103.61 126.41 50.73 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.975 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -87.68 97.63 10.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.409 0.623 . . . . 0.0 110.885 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -92.6 106.59 18.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 172.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -56.39 121.99 10.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.304 -0.862 . . . . 0.0 113.224 -167.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 70.88 -175.65 0.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.304 -1.317 . . . . 0.0 112.203 171.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -104.45 129.27 52.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.272 0.558 . . . . 0.0 111.924 -170.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -121.65 -2.74 9.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.647 175.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 . . . . . 0 C--O 1.246 0.905 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.648 177.732 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.635 0.255 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.02 94.53 0.55 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.428 2.085 . . . . 0.0 111.976 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.6 tt -131.94 124.57 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.071 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.7 m 72.24 140.09 0.05 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.352 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -60.97 137.4 58.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -77.03 -43.48 34.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.428 -176.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' A' ' 31' ' ' GLU . 98.6 m-85 61.56 -161.89 0.28 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.558 0.536 . . . . 0.0 109.95 -173.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' B' ' 11' ' ' GLN . 2.0 p -87.42 126.12 34.69 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 172.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -65.03 -35.14 80.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.788 0.327 . . . . 0.0 110.776 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.49 -36.22 79.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.275 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . 0.519 ' O ' HG13 ' B' ' 15' ' ' ILE . 38.6 tt0 -63.82 -58.79 5.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.263 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.402 HG21 ' CD1' ' A' ' 32' ' ' LEU . 45.5 t -52.6 -56.8 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.309 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -50.75 -51.54 49.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.309 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -84.3 -19.3 33.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.994 -169.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . 0.519 HG13 ' O ' ' B' ' 11' ' ' GLN . 76.4 mt -70.53 -41.31 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 170.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.593 HD23 HG21 ' A' ' 36' ' ' ILE . 95.7 mt -56.59 -41.84 77.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.228 174.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.77 87.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.221 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.406 ' O ' HG22 ' B' ' 22' ' ' VAL . 45.8 mt-10 -67.03 -44.32 80.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.895 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 78.5 t -60.8 -49.96 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 111.015 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.48 -32.84 74.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.33 -43.27 95.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.339 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.406 HG22 ' O ' ' B' ' 18' ' ' GLU . 99.2 t -61.74 -41.5 90.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.341 0.591 . . . . 0.0 110.313 178.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 63.9 mt -64.8 -46.17 83.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.693 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.34 -37.54 85.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.058 0.456 . . . . 0.0 110.378 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -63.68 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -87.39 7.37 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.33 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.6 36.62 16.68 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.51 0.506 . . . . 0.0 111.218 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.481 ' HA ' HD22 ' B' ' 32' ' ' LEU . . . -67.46 114.82 6.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.808 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.465 ' OG ' ' HD2' ' B' ' 30' ' ' PRO . 4.9 t -71.48 153.64 93.7 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.246 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.465 ' HD2' ' OG ' ' B' ' 29' ' ' SER . 8.7 Cg_exo -35.19 -53.35 0.73 Allowed 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.297 3.331 . . . . 0.0 114.371 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.515 ' CD ' ' HZ3' ' A' ' 60' ' ' LYS . 37.3 mm-40 -57.78 -46.25 84.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.889 0.376 . . . . 0.0 111.199 -179.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.546 ' O ' HG12 ' B' ' 36' ' ' ILE . 53.9 tp -64.86 -47.75 76.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.979 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' THR . . . . . 0.5 HG21 HD12 ' B' ' 23' ' ' LEU . 52.4 m -55.2 -50.68 68.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.586 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.514 HD23 ' HB2' ' A' ' 61' ' ' PHE . 6.6 tt -69.71 -34.67 74.22 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.345 -176.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 39.9 ttp -69.36 -30.45 68.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.259 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.584 HG22 HD23 ' A' ' 16' ' ' LEU . 23.9 mm -58.11 -50.25 78.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 172.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.12 81.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.008 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.84 -42.91 99.74 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.148 -0.549 . . . . 0.0 112.169 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -63.44 -41.84 98.67 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.553 HG12 ' O ' ' B' ' 36' ' ' ILE . 50.2 mm -54.46 -52.89 35.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.682 178.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.52 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -60.62 -43.59 97.32 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.686 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 85.6 m -58.37 -49.93 75.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.454 ' O ' ' HG2' ' B' ' 47' ' ' GLN . 15.4 m120 -56.98 -46.54 82.16 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 121.04 0.448 . . . . 0.0 110.313 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.573 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 55.7 t -61.32 -42.5 93.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.543 HD11 HD11 ' A' ' 69' ' ' LEU . 95.1 mt -63.08 -23.68 67.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.931 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.413 ' N ' HD21 ' B' ' 46' ' ' ASN . 0.9 OUTLIER -90.06 -46.87 8.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.86 179.138 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' B' ' 43' ' ' ASN . 5.9 pt20 -134.35 26.26 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -166.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.573 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 12.7 mmm180 -142.02 -36.23 0.42 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.347 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.444 HG21 HG21 ' B' ' 57' ' ' ILE . 9.9 p -88.37 152.93 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.18 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 152.55 44.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.438 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.37 -46.9 87.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.351 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -29.59 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.299 0.571 . . . . 0.0 110.092 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.402 HE21 ' HB3' ' B' ' 56' ' ' LEU . 10.4 tp60 -88.54 -6.39 57.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.441 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -60.03 -66.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -168.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -72.32 -30.4 64.74 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.844 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.402 ' HB3' HE21 ' B' ' 53' ' ' GLN . 4.7 tt -62.99 -45.73 91.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.963 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.444 HG21 HG21 ' B' ' 49' ' ' VAL . 9.8 tt -72.86 -26.16 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.3 82.25 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.112 0.482 . . . . 0.0 110.134 174.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.89 -47.26 72.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.15 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LYS . . . . . 0.419 ' HB3' ' HA ' ' B' ' 57' ' ' ILE . 86.9 tttt -52.73 -49.72 64.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.262 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -69.17 -48.76 61.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.517 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.88 -43.39 94.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.403 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.98 -36.95 80.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.094 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.62 96.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.035 0.445 . . . . 0.0 110.146 176.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 25.3 tp -63.49 -40.63 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.358 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.6 mmt -72.97 -29.49 63.1 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.357 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 27.1 t -72.85 -24.02 60.83 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 176.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -98.4 9.19 43.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.547 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.58 105.99 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.225 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.99 105.39 2.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.912 0.387 . . . . 0.0 111.039 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.1 t -125.87 82.47 64.29 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-O 121.664 0.745 . . . . 0.0 110.057 173.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -91.32 109.63 0.31 Allowed 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 123.242 2.628 . . . . 0.0 112.113 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -83.57 9.03 12.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.481 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -73.43 102.41 3.77 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.318 0.58 . . . . 0.0 111.733 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -118.09 6.31 12.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 33.8 tp -81.34 -6.13 58.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.118 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLU . . . . . 0.446 ' CD ' ' HD1' ' B' ' 80' ' ' HIS . 38.4 mt-10 -113.53 150.12 33.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.279 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -110.41 134.4 52.35 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 50.81 22.52 1.17 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.246 1.018 . . . . 0.0 113.017 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.446 ' HD1' ' CD ' ' B' ' 77' ' ' GLU . 10.1 t-80 -120.57 21.17 11.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.015 0.912 . . . . 0.0 108.671 171.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -130.46 32.48 4.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.443 -1.253 . . . . 0.0 107.896 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -102.15 125.82 48.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.54 -172.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 20.9 p80 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.279 176.908 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.733 0.301 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.509 HG22 ' HB3' ' A' ' 10' ' ' GLU . 23.4 m -64.3 125.94 26.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.588 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -65.16 -32.65 74.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.707 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.509 ' HB3' HG22 ' A' ' 8' ' ' THR . 10.7 tp10 -52.53 -52.82 52.89 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.166 0.507 . . . . 0.0 109.733 171.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.55 ' O ' HG13 ' A' ' 15' ' ' ILE . 42.8 tt0 -59.72 -55.03 39.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.922 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.1 t -57.3 -49.81 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.53 -176.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.08 -42.84 95.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.091 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 31.4 mmtp -67.97 -33.77 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.109 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 11' ' ' GLN . 61.3 mt -69.33 -44.36 80.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 95.7 mt -56.62 -42.17 78.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.6 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.64 85.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.14 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.16 -38.19 72.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.429 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG13 HG13 ' B' ' 19' ' ' VAL . 79.8 t -64.21 -48.28 86.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.883 0.373 . . . . 0.0 110.543 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.96 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.689 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.543 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 10.1 tt -61.36 -40.52 94.6 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.119 177.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.61 -37.26 79.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.188 0.518 . . . . 0.0 110.695 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 33' ' ' THR . 80.4 mt -70.14 -43.39 71.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.453 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.24 -37.37 85.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.39 0.614 . . . . 0.0 109.992 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 2.9 tmtt? -56.78 -38.62 72.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.383 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -103.23 11.9 36.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.487 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.63 42.69 29.23 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.485 0.491 . . . . 0.0 111.543 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -61.91 123.69 18.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.197 0.522 . . . . 0.0 111.612 -177.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.519 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 10.4 m -76.48 163.75 64.05 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.823 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 3.3 Cg_endo -46.45 -55.31 3.86 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.372 2.715 . . . . 0.0 114.304 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.77 -41.88 99.44 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.998 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.608 ' O ' HG12 ' A' ' 36' ' ' ILE . 47.4 tp -59.25 -47.66 84.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.504 HG23 HD13 ' A' ' 23' ' ' LEU . 85.8 m -52.61 -51.87 58.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.429 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.58 -32.05 62.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.744 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.9 ttp -71.05 -30.77 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.515 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 32' ' ' LEU . 26.8 mm -60.72 -46.8 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.27 85.04 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.018 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.429 ' CA ' ' HE1' ' B' ' 61' ' ' PHE . . . -61.48 -46.39 94.44 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.381 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -61.05 -38.5 86.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.655 0.264 . . . . 0.0 110.836 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 44' ' ' VAL . 81.9 mt -59.13 -55.18 25.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.398 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.6 -40.82 88.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.7 m -58.76 -49.63 76.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -59.96 -42.12 93.4 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.991 0.424 . . . . 0.0 110.751 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 40' ' ' ILE . 65.9 t -61.5 -45.35 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.063 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 91.6 mt -68.69 -12.84 61.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.665 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -96.52 -56.2 2.68 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.87 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -107.29 -23.14 12.35 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.681 ' HB3' ' HB3' ' B' ' 30' ' ' PRO . 45.8 mtt180 -99.87 -39.73 8.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -170.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 4.6 p -86.72 164.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.03 154.26 23.36 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.6 74.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.648 0.261 . . . . 0.0 111.345 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -65.8 -32.87 74.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.275 0.56 . . . . 0.0 110.774 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.5 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 3.9 tp-100 -85.35 -6.24 59.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.47 -176.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -67.5 -60.2 2.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.173 -167.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 48.7 tptt -62.54 -38.29 89.46 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.176 -0.209 . . . . 0.0 110.887 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.2 -50.94 66.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -64.23 -31.3 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -178.183 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.84 -46.06 69.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.793 176.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 23.9 mm-40 -63.15 -42.94 99.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.953 0.406 . . . . 0.0 110.07 176.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -54.4 -45.72 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.142 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.482 ' HB2' HD21 ' B' ' 34' ' ' LEU . 58.3 t80 -63.35 -48.39 78.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.099 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -62.55 -44.54 96.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.423 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -66.44 -38.5 87.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.128 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.48 -31.34 72.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.14 0.495 . . . . 0.0 110.31 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.0 tp -74.96 -37.38 61.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.649 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 29.6 mmt -65.42 -36.29 83.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 110.63 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -79.92 -25.32 40.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.19 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -83.47 -13.76 53.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.198 0.523 . . . . 0.0 110.202 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.594 HD21 ' HG2' ' B' ' 54' ' ' ARG . 6.4 tt . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.511 ' HB ' ' CB ' ' B' ' 11' ' ' GLN . 11.2 m . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -60.73 -48.09 83.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.754 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 42.2 tt0 -63.41 -33.06 74.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.421 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.511 ' CB ' ' HB ' ' B' ' 8' ' ' THR . 56.5 tt0 -62.8 -45.83 90.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.196 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.29 -45.59 85.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.286 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.87 -45.21 86.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.827 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 47.4 mmtm -66.13 -39.69 90.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 -177.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.473 ' O ' HG23 ' B' ' 19' ' ' VAL . 79.1 mt -62.86 -46.55 96.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.786 0.327 . . . . 0.0 110.148 176.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.407 HD23 HG23 ' A' ' 36' ' ' ILE . 82.6 mt -57.63 -41.52 81.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.35 95.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.286 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.446 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.2 mt-10 -68.5 -36.79 79.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.182 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 15' ' ' ILE . 82.1 t -63.76 -45.9 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.283 176.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -63.15 -32.12 73.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.754 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.29 -40.63 96.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.089 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 18' ' ' GLU . 95.0 t -65.66 -36.22 77.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.009 0.433 . . . . 0.0 110.433 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 81.2 mt -62.24 -48.03 81.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.113 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.55 -39.67 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.241 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.78 -22.06 45.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.776 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -124.07 13.25 9.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.53 45.77 27.97 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.507 0.504 . . . . 0.0 111.777 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.05 127.24 31.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.885 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.496 ' HB2' ' HD2' ' B' ' 30' ' ' PRO . 81.2 p -69.6 164.38 50.77 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.304 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.681 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 9.8 Cg_endo -53.8 -47.81 25.18 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.556 2.171 . . . . 0.0 111.907 176.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.97 -50.25 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.415 ' O ' HG13 ' B' ' 36' ' ' ILE . 56.8 tp -59.04 -45.93 89.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.176 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 57.4 m -56.36 -52.8 63.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.493 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' ' 61' ' ' PHE . 6.6 tt -67.76 -35.04 77.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.523 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 31.9 ttp -68.63 -32.82 72.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.914 0.388 . . . . 0.0 110.602 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.457 ' O ' HG13 ' B' ' 40' ' ' ILE . 33.5 mt -62.51 -43.77 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.244 174.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.96 79.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.126 0.488 . . . . 0.0 110.227 175.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.407 ' CA ' ' HE1' ' A' ' 61' ' ' PHE . . . -61.19 -46.51 94.34 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.035 175.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -58.06 -39.75 79.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.606 0.241 . . . . 0.0 110.865 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.596 ' O ' HG23 ' B' ' 44' ' ' VAL . 64.5 mt -58.34 -58.22 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -58.81 -36.95 75.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -59.61 -48.27 82.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -63.36 -35.81 81.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.626 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.664 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 47.2 t -60.25 -52.56 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.026 0.441 . . . . 0.0 110.044 175.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' B' ' 54' ' ' ARG . 82.7 mt -69.54 -13.1 62.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.797 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -99.73 -37.98 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -145.57 31.05 1.08 Allowed 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 118.68 0.673 . . . . 0.0 110.597 -166.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.664 ' HB3' ' HA ' ' B' ' 44' ' ' VAL . 19.9 ttm180 -155.61 -46.47 0.08 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.873 -0.731 . . . . 0.0 112.498 -169.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.501 HG21 HG21 ' B' ' 57' ' ' ILE . 2.6 p -86.02 164.44 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.761 0.315 . . . . 0.0 111.01 -177.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.77 139.5 38.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.521 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.57 74.99 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 122.533 0.333 . . . . 0.0 111.533 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.8 m -69.11 -31.89 70.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.139 0.495 . . . . 0.0 110.968 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.442 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.7 tp-100 -83.66 -16.28 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.019 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.594 ' HG2' HD21 ' A' ' 69' ' ' LEU . 10.9 ttp180 -57.53 -51.96 67.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.018 -167.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -75.05 -32.39 61.52 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.442 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -69.68 -50.95 38.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.501 HG21 HG21 ' B' ' 49' ' ' VAL . 14.7 tt -66.47 -29.43 46.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.01 -41.27 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.823 0.344 . . . . 0.0 110.452 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.57 -42.45 91.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.866 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.6 -42.81 88.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.834 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.429 ' HE1' ' CA ' ' A' ' 38' ' ' GLY . 77.7 t80 -60.95 -54.92 39.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.992 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -58.47 -43.58 88.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.273 -178.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -42.7 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.75 91.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.511 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 22.6 tp -65.99 -36.6 83.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.855 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 30.7 mmt -68.16 -36.91 80.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.889 0.376 . . . . 0.0 110.611 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.9 p -82.81 -7.53 59.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.066 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.6 m -103.39 -2.05 27.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.362 0.601 . . . . 0.0 110.083 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.084 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 121.254 0.55 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.503 ' HB ' ' HG3' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -57.06 127.27 31.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.052 178.175 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.76 -46.59 77.84 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.83 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' OE1' HG22 ' A' ' 8' ' ' THR . 1.5 pm0 -58.47 -34.07 70.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.408 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.503 ' HG3' ' HB ' ' A' ' 8' ' ' THR . 80.7 mt-30 -66.58 -51.51 55.6 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.69 -53.35 50.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.152 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.37 -50.46 65.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.996 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 47.8 mttm -79.39 -24.08 42.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.611 -169.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 19' ' ' VAL . 79.7 mt -72.05 -42.16 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 172.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.572 HD23 HG23 ' B' ' 36' ' ' ILE . 80.0 mt -56.41 -43.85 79.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.121 173.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.51 -44.34 84.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.341 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 47.2 mt-10 -69.18 -43.23 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.075 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 94.2 t -59.35 -48.23 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.458 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.11 73.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.25 -40.94 90.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.19 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.4 t -60.54 -42.02 89.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.135 0.493 . . . . 0.0 109.986 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 70.4 mt -60.74 -54.1 49.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.29 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.44 -29.34 70.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.84 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.13 -41.08 86.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.089 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -98.58 13.2 32.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.28 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.41 37.16 13.81 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.074 0.464 . . . . 0.0 111.308 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.51 116.72 8.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.112 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.501 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 15.4 m -68.77 161.63 69.89 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.72 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.853 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 6.1 Cg_endo -49.5 -39.26 45.29 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.306 2.67 . . . . 0.0 112.706 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.24 -50.92 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.263 177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 36' ' ' ILE . 25.0 tp -63.44 -29.31 70.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.7 m -59.25 -56.76 18.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.154 0.502 . . . . 0.0 110.795 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tt -71.53 -27.79 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.494 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 25.9 ttt -60.55 -44.47 96.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.058 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 32' ' ' LEU . 30.1 mm -59.52 -45.13 94.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.328 175.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.79 78.16 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.557 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.62 -38.59 96.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.175 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -66.46 -34.66 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.662 0.268 . . . . 0.0 110.418 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 36' ' ' ILE . 47.1 mm -61.99 -53.85 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.194 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.11 -43.31 82.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.034 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.9 m -63.04 -44.58 95.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -59.53 -41.05 89.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.193 0.521 . . . . 0.0 110.07 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.775 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 98.9 t -61.82 -46.79 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.007 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.509 ' HA ' HG11 ' A' ' 49' ' ' VAL . 95.9 mt -61.15 -26.32 67.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.074 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -73.41 -61.47 1.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.17 -42.61 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -171.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.775 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 13.7 mtt85 -79.87 33.0 0.26 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG11 ' HA ' ' A' ' 45' ' ' LEU . 4.9 p -153.84 168.64 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.481 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.3 150.3 20.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.513 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.06 -59.4 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -70.97 -17.21 62.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.722 ' HG3' HG12 ' A' ' 57' ' ' ILE . 4.1 tp-100 -85.42 -21.46 28.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.57 -176.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 16.7 mtm-85 -53.99 -43.01 69.65 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 30.0 mmtp -64.37 -42.16 96.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.603 0.239 . . . . 0.0 111.396 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -72.19 -45.69 59.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.787 0.327 . . . . 0.0 110.156 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.722 HG12 ' HG3' ' A' ' 53' ' ' GLN . 17.1 mm -56.14 -50.71 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.748 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.13 83.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.664 0.269 . . . . 0.0 111.514 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -67.36 -46.77 72.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.353 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.17 -36.4 84.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.818 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -61.29 -49.94 75.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.395 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -62.99 -43.98 97.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -66.4 -42.82 87.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.747 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.04 -33.74 76.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.574 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.32 -39.78 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.92 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 25.1 mmt -69.96 -33.45 72.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.491 176.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.3 t -71.06 -33.02 69.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.411 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -94.95 6.41 49.14 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.306 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.624 HD13 HD13 ' B' ' 45' ' ' LEU . 64.3 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.366 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.51 ' OG1' ' HB2' ' B' ' 11' ' ' GLN . 82.5 p . . . . . 0 C--O 1.236 0.353 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -62.27 -34.68 77.02 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.664 0.268 . . . . 0.0 110.684 -177.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.679 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 0.5 OUTLIER -72.42 -36.95 68.72 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.609 179.335 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.51 ' HB2' ' OG1' ' B' ' 8' ' ' THR . 51.3 tt0 -56.84 -49.9 74.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.187 0.517 . . . . 0.0 110.855 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.37 -41.66 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.122 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.62 -41.35 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.992 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 32.3 mmtp -63.5 -50.65 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.84 -44.49 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.855 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.54 -43.43 79.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.191 176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.43 98.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.411 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.0 mt-10 -64.05 -48.18 77.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.782 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 93.9 t -60.14 -45.42 95.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.557 178.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.77 86.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.854 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.53 -41.56 97.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.514 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.4 t -62.81 -44.94 99.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.968 0.413 . . . . 0.0 110.119 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 76.0 mt -62.79 -50.19 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.71 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -39.59 94.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.591 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.26 -41.57 99.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.767 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -83.61 -2.32 55.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.398 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.01 46.79 10.47 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.66 0.6 . . . . 0.0 110.695 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 118.96 9.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.26 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.8 p -69.61 161.39 74.55 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.236 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.06 -44.25 43.45 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.962 2.441 . . . . 0.0 112.329 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.47 -54.84 41.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.418 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.408 ' O ' HG13 ' B' ' 36' ' ' ILE . 53.1 tp -59.09 -44.39 91.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.649 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 92.5 m -55.5 -51.99 65.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.66 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.13 -32.72 61.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.71 -175.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttp -64.03 -34.6 78.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.998 0.428 . . . . 0.0 109.923 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.572 HG23 HD23 ' A' ' 16' ' ' LEU . 54.6 mt -62.32 -46.8 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.331 174.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.37 86.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.13 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.43 96.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.251 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -67.17 -40.54 86.62 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 36' ' ' ILE . 87.8 mt -57.86 -52.62 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.487 176.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.54 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.04 -48.08 82.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.147 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 14.8 p -66.19 -34.98 79.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.297 . . . . 0.0 111.405 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -66.71 -37.79 85.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.315 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.573 ' HA ' ' O ' ' B' ' 47' ' ' GLN . 98.8 t -70.38 -36.93 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 110.192 174.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.624 HD13 HD13 ' A' ' 69' ' ' LEU . 95.1 mt -69.4 -11.12 60.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.23 0.538 . . . . 0.0 110.652 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -95.83 -48.46 5.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.101 171.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.573 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 47.8 mt-30 -132.31 137.64 47.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.776 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.853 ' HB3' ' HB3' ' A' ' 30' ' ' PRO . 50.9 mtt180 91.62 14.1 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.931 1.292 . . . . 0.0 111.839 175.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.499 HG11 ' HA ' ' B' ' 45' ' ' LEU . 1.3 p -139.38 147.15 24.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.417 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.6 140.11 51.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.48 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.99 86.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.184 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -68.48 -33.12 73.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.233 0.54 . . . . 0.0 110.298 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.631 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.3 tp-100 -87.69 -3.51 58.96 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.37 -177.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.594 ' HG3' HD11 ' A' ' 69' ' ' LEU . 16.7 tpp85 -53.73 -65.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -170.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 10.2 tmtt? -75.86 -26.79 57.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.183 0.516 . . . . 0.0 109.924 -175.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 2.9 tt -70.95 -47.28 59.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.828 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.631 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.0 tt -69.21 -33.13 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.435 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.82 95.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.186 0.517 . . . . 0.0 109.987 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -61.84 -47.13 86.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.079 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 29.1 mtpp -60.77 -42.14 96.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.786 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -59.34 -44.87 92.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.055 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.01 90.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.94 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -62.11 -39.96 94.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.989 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.74 91.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.878 0.371 . . . . 0.0 110.722 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.97 -33.96 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.412 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -23.98 62.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 176.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 32.3 t -80.05 -32.37 39.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.769 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 27.4 p -82.61 -25.92 32.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.344 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--O 1.234 0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.55 174.895 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.411 ' HB3' ' H ' ' A' ' 8' ' ' THR . 64.0 m-85 . . . . . 0 N--CA 1.466 0.341 0 CA-C-O 121.13 0.491 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.411 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 5.7 m -85.41 125.98 33.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.15 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.38 -55.74 22.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.914 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.0 pm0 -59.41 -36.68 76.31 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.865 -176.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -57.94 -50.59 72.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG22 HD11 ' B' ' 32' ' ' LEU . 61.4 t -63.84 -52.18 60.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.602 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.41 -41.88 97.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.074 -175.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 68.2 mmtt -70.47 -40.57 73.59 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.127 -176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 19' ' ' VAL . 77.1 mt -60.21 -44.96 96.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.158 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.79 -47.22 83.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.952 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.78 89.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.583 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.6 mm-40 -66.41 -53.92 30.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.8 t -56.48 -49.76 75.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.344 -177.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.4 84.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.538 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.18 -40.45 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.697 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 18' ' ' GLU . 95.5 t -62.28 -42.98 97.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.076 0.465 . . . . 0.0 110.362 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 74.0 mt -62.72 -51.61 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.473 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -65.08 -33.32 75.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.543 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -65.06 -38.56 91.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.868 0.366 . . . . 0.0 110.796 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -84.02 5.8 24.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.409 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.3 38.43 19.74 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.242 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 138.32 55.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.815 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -84.84 161.09 54.23 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.53 -34.61 43.07 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.767 2.311 . . . . 0.0 112.731 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -61.53 -44.41 97.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.386 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.507 ' O ' HG12 ' A' ' 36' ' ' ILE . 44.5 tp -71.12 -38.67 72.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.413 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.5 m -56.39 -50.5 71.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.316 0.579 . . . . 0.0 110.775 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tt -74.21 -26.86 60.5 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.07 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.1 ttm -63.94 -39.91 95.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.05 0.452 . . . . 0.0 110.149 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 32' ' ' LEU . 36.1 mm -61.93 -46.11 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.841 176.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.91 81.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.785 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.61 -46.98 93.16 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.267 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -57.83 -41.73 82.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.557 0.218 . . . . 0.0 110.646 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 44' ' ' VAL . 75.8 mt -56.53 -60.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.432 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.59 91.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.43 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 85.9 m -60.6 -46.62 89.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -72.2 -30.81 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.706 0.289 . . . . 0.0 110.779 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 70.8 t -62.68 -51.36 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD13 HD13 ' B' ' 69' ' ' LEU . 82.0 mt -68.74 -11.73 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.189 0.519 . . . . 0.0 110.838 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' A' ' 42' ' ' THR . 1.9 t-20 -90.39 -48.25 7.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.487 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -130.63 -49.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.624 -174.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.577 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 20.0 mtp180 -86.89 40.15 0.89 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -167.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG21 HG21 ' A' ' 57' ' ' ILE . 4.7 p -151.0 151.35 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -70.8 146.11 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.271 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.2 -42.73 81.81 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.157 0.286 . . . . 0.0 111.266 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 m -62.73 -39.64 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.287 0.565 . . . . 0.0 110.588 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 7.9 tp60 -82.97 -10.19 58.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.088 -173.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' HD11 ' B' ' 69' ' ' LEU . 18.9 ttm180 -60.09 -58.14 9.81 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.786 -172.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -34.93 74.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.118 0.485 . . . . 0.0 110.35 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.5 -48.78 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.675 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.524 HG21 HG21 ' A' ' 49' ' ' VAL . 12.4 tt -72.06 -27.8 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.672 -175.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.55 80.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 110.097 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -65.19 -43.74 90.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.769 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -56.39 -52.05 66.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.633 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.521 ' HB2' HD21 ' B' ' 34' ' ' LEU . 65.9 t80 -52.65 -53.92 40.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.928 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.92 73.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.508 -175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -63.03 -40.56 98.1 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.947 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.47 98.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.632 0.253 . . . . 0.0 110.329 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.8 tp -60.22 -42.12 94.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.807 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -14.35 60.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.237 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.1 m -87.71 -36.36 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.773 0.321 . . . . 0.0 110.553 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.3 p -86.96 0.83 54.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.229 0.538 . . . . 0.0 110.747 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.668 HD11 ' HG2' ' B' ' 54' ' ' ARG . 18.3 tp . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.247 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m . . . . . 0 C--O 1.235 0.296 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -56.59 -39.87 74.27 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.943 -176.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -53.33 -47.42 69.34 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.22 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -57.01 -52.06 66.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.669 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -58.59 -55.06 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.298 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.74 -43.97 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.626 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -77.16 -27.0 53.63 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.606 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.406 ' O ' HG23 ' B' ' 19' ' ' VAL . 70.5 mt -69.97 -41.39 79.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 171.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.28 -37.69 75.5 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.322 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.93 96.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.05 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HG23 ' B' ' 22' ' ' VAL . 42.9 mt-10 -63.99 -41.18 97.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.446 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.491 HG13 HG22 ' A' ' 19' ' ' VAL . 96.4 t -64.48 -42.42 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.751 177.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.51 -37.55 78.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.131 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -67.87 -34.97 77.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.642 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 18' ' ' GLU . 64.2 t -62.83 -40.39 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.083 0.468 . . . . 0.0 109.791 174.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 71.0 mt -66.21 -40.98 90.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.362 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.68 -41.9 82.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.244 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -72.93 3.11 5.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.976 0.417 . . . . 0.0 111.185 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -131.32 5.2 4.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.18 172.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 45.18 51.91 8.87 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 123.99 0.806 . . . . 0.0 112.122 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.532 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -57.61 117.56 4.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.216 -178.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -70.27 162.06 72.11 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.229 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.36 -51.02 11.91 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.042 2.495 . . . . 0.0 113.958 -175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -64.04 -37.87 88.99 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' B' ' 28' ' ' ALA . 52.5 tp -64.47 -45.43 87.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.197 176.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -54.62 -52.73 61.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.377 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 61' ' ' PHE . 7.3 tt -73.71 -32.27 63.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -175.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.3 ttm -62.18 -42.02 98.88 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.626 ' O ' HG12 ' B' ' 40' ' ' ILE . 36.8 mt -60.45 -44.36 96.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.593 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.87 88.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.945 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.44 -37.87 94.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.109 -0.567 . . . . 0.0 111.884 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -65.26 -41.42 94.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.626 HG12 ' O ' ' B' ' 36' ' ' ILE . 49.6 mm -53.69 -57.58 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.15 175.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.09 -49.8 74.75 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 91.4 m -53.72 -55.57 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.849 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -68.56 -38.24 80.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.361 . . . . 0.0 110.774 -173.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.12 -42.64 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.976 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 80.9 mt -65.25 -42.49 93.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.85 0.357 . . . . 0.0 111.424 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -80.15 -19.01 48.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -174.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -115.0 -60.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -86.39 -34.49 20.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -164.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' B' ' 45' ' ' LEU . 1.2 p -87.54 163.84 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.687 -176.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.06 134.95 44.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.89 67.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.613 0.244 . . . . 0.0 111.299 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.4 m -62.99 -35.35 79.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.193 0.52 . . . . 0.0 110.572 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.519 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 6.0 tp-100 -83.93 -22.94 31.34 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.179 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.668 ' HG2' HD11 ' A' ' 69' ' ' LEU . 39.3 ttm180 -48.31 -56.34 8.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.972 -167.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' B' ' 55' ' ' LYS . 12.5 tptm -74.55 -35.35 63.09 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.092 -176.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.54 -49.38 66.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.519 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 15.8 tt -65.24 -30.42 50.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.038 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.13 -44.61 75.71 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.962 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.33 -46.56 88.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' B' ' 57' ' ' ILE . 27.7 mtpp -54.69 -47.3 73.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.369 0.604 . . . . 0.0 110.253 175.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.424 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 56.9 t80 -62.74 -51.5 66.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.306 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.578 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.5 -44.45 93.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -51.77 68.01 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.57 77.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.76 -43.68 88.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.7 mmt -69.6 -29.9 67.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.878 0.37 . . . . 0.0 110.595 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.0 t -73.74 -26.54 60.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.984 0.421 . . . . 0.0 110.065 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 39.5 m -90.61 -7.9 51.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.585 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.491 HD13 HD13 ' A' ' 45' ' ' LEU . 61.0 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.762 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 C--O 1.231 0.11 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 11' ' ' GLN . 15.3 t -91.09 137.15 32.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 170.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.21 -43.68 78.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -169.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.89 -12.92 61.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.503 ' O ' HD13 ' A' ' 15' ' ' ILE . 53.6 tt0 -71.0 -60.13 2.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.76 -44.05 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.578 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.11 -43.91 82.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.451 -177.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.57 -34.9 58.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.552 -174.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.503 HD13 ' O ' ' A' ' 11' ' ' GLN . 1.8 mp -63.98 -47.15 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.655 173.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.419 HD23 HG23 ' B' ' 36' ' ' ILE . 79.1 mt -59.53 -41.63 90.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.197 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.65 73.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.387 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 22' ' ' VAL . 37.1 mt-10 -67.06 -39.15 86.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.824 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 72.8 t -65.03 -45.52 94.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.804 0.335 . . . . 0.0 110.998 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.88 85.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 0.0 110.779 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.72 -38.26 90.45 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.044 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.0 t -59.73 -42.83 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.225 0.536 . . . . 0.0 110.189 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 HG23 ' A' ' 33' ' ' THR . 53.6 mt -61.38 -45.96 92.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.484 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.3 -37.25 74.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.887 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.71 -35.75 80.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.33 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -95.83 2.45 53.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.907 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.63 48.04 23.39 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.577 0.548 . . . . 0.0 110.858 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.87 123.85 22.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.991 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -62.64 157.53 57.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.295 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.5 -45.88 37.84 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.659 2.24 . . . . 0.0 112.668 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.91 -45.15 93.85 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.068 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD11 HG22 ' B' ' 12' ' ' VAL . 44.2 tp -60.23 -45.34 93.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.692 0.282 . . . . 0.0 110.348 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.493 HG23 HD13 ' A' ' 23' ' ' LEU . 93.9 m -56.78 -54.69 43.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.753 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.525 ' HB2' HG11 ' B' ' 44' ' ' VAL . 6.4 tt -69.95 -33.27 71.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.771 -175.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttp -64.72 -37.12 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.064 0.459 . . . . 0.0 110.36 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.595 ' O ' HG12 ' A' ' 40' ' ' ILE . 36.4 mt -59.97 -45.83 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.589 175.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.28 78.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.031 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.99 -36.45 90.97 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.097 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -68.24 -33.13 73.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 36' ' ' ILE . 51.1 mm -59.56 -52.38 61.59 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.86 -42.95 80.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.782 176.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.7 m -62.13 -42.99 99.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -60.47 -41.98 95.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.216 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.044 ' HA ' ' HB3' ' A' ' 48' ' ' ARG . 97.2 t -59.27 -52.85 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.931 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 38.6 mt -63.53 -14.69 53.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.546 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HB3' ' HG3' ' A' ' 47' ' ' GLN . 3.1 m-80 -90.38 -57.63 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 44.7 mt-30 -132.41 7.53 4.21 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.724 -168.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 1.044 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 11.9 ttt85 -133.77 23.15 3.94 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.708 -165.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 57' ' ' ILE . 8.7 p -160.02 158.55 2.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.292 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -75.83 141.55 42.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.498 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -36.15 78.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -66.29 -15.18 63.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.139 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -111.08 -4.88 14.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.698 -169.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 99.4 mtt180 -68.27 -35.75 78.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -169.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -74.47 -46.84 37.01 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.331 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.8 -49.08 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.314 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.537 HG21 HG21 ' A' ' 49' ' ' VAL . 13.8 tt -70.38 -29.4 38.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.213 -173.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.73 70.85 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.956 0.408 . . . . 0.0 110.642 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 70.3 mt-10 -68.64 -40.44 80.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.792 178.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' A' ' 57' ' ' ILE . 28.4 ttpp -56.53 -39.57 73.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.303 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' B' ' 34' ' ' LEU . 88.5 t80 -60.26 -54.77 41.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.754 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.74 80.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.423 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 59' ' ' GLU . 88.0 mm-40 -58.16 -41.62 84.19 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.046 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.28 82.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.864 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.6 tp -64.91 -42.82 94.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.86 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -71.36 -24.65 62.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 179.364 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.3 m -73.96 -26.67 60.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.005 0.431 . . . . 0.0 110.39 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -101.14 10.15 41.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.23 0.538 . . . . 0.0 111.281 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.696 HD13 HD13 ' B' ' 45' ' ' LEU . 53.1 tp . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.59 0.233 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -52.68 -41.16 63.61 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.715 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -56.38 -39.82 73.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.441 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -66.85 -52.18 46.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.634 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.432 HG22 HD11 ' A' ' 32' ' ' LEU . 58.4 t -60.35 -45.97 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.491 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.84 -42.52 93.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -45.61 91.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.845 -176.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.439 ' O ' HG23 ' B' ' 19' ' ' VAL . 54.5 mt -64.72 -43.94 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.166 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.587 HD23 HG23 ' A' ' 36' ' ' ILE . 91.2 mt -56.69 -46.74 80.99 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -56.84 -46.36 81.77 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.97 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.5 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.1 mt-10 -68.79 -41.53 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.121 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 15' ' ' ILE . 70.7 t -60.23 -45.44 96.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.901 0.381 . . . . 0.0 110.518 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -36.38 83.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.713 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 48.9 mt -67.66 -29.72 69.07 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.509 178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 18' ' ' GLU . 93.7 t -66.02 -35.44 75.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.48 0.657 . . . . 0.0 109.584 175.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.471 HD13 HG23 ' B' ' 33' ' ' THR . 79.3 mt -71.52 -46.24 60.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.229 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -27.24 68.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 86.4 tttt -63.57 -41.54 98.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.319 178.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -102.77 10.79 38.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.453 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.33 47.8 13.41 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.345 0.593 . . . . 0.0 111.011 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.59 135.59 45.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.463 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' B' ' 30' ' ' PRO . 68.2 p -69.61 163.57 58.19 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.519 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.438 ' O ' ' HB ' ' B' ' 33' ' ' THR . 10.9 Cg_endo -56.08 -42.72 63.62 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.467 2.112 . . . . 0.0 111.605 174.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.84 -48.6 78.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.07 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.635 ' O ' HG12 ' B' ' 36' ' ' ILE . 55.0 tp -59.2 -43.43 92.25 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.471 HG23 HD13 ' B' ' 23' ' ' LEU . 54.4 m -51.71 -55.7 18.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.255 176.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 61' ' ' PHE . 8.2 tt -68.92 -33.96 74.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.804 -176.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.3 ttp -68.2 -34.01 75.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.417 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.635 HG12 ' O ' ' B' ' 32' ' ' LEU . 24.9 mm -61.92 -44.55 99.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 174.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.8 -41.71 78.24 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.414 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.0 -46.84 93.77 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.924 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.85 -36.03 80.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 111.065 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.519 ' O ' HG23 ' B' ' 44' ' ' VAL . 81.5 mt -60.27 -55.45 24.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.29 -39.52 79.52 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.562 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.4 m -55.53 -54.35 45.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -58.73 -42.49 88.86 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.028 0.442 . . . . 0.0 110.318 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.623 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 42.1 t -61.58 -41.49 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.98 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.696 HD13 HD13 ' A' ' 69' ' ' LEU . 97.4 mt -76.85 -4.09 41.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.518 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -99.47 -61.97 1.3 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.924 0.392 . . . . 0.0 110.716 175.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -104.14 -39.66 6.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.243 -171.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.623 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 46.8 mtt180 -90.08 17.48 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -170.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.51 HG21 HG21 ' B' ' 57' ' ' ILE . 4.4 p -139.96 158.65 26.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.523 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 147.25 28.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.564 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.31 -41.25 84.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.572 0.225 . . . . 0.0 111.225 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 26.5 t -66.73 -23.34 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.792 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.412 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.9 tp-100 -95.13 -19.32 20.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 -176.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 69' ' ' LEU . 25.1 ttm-85 -53.3 -56.18 18.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.35 -169.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' B' ' 59' ' ' GLU . 11.3 tptm -67.33 -44.22 79.66 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.904 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.98 -51.39 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.391 -175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.51 HG21 HG21 ' B' ' 49' ' ' VAL . 16.0 tt -67.82 -31.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.022 -176.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.61 67.94 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.891 0.377 . . . . 0.0 110.703 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.474 ' HB2' ' HE2' ' B' ' 55' ' ' LYS . 35.4 tt0 -63.7 -50.33 69.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.834 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -58.61 -39.42 80.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.133 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -59.4 -47.82 83.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.008 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.48 -48.75 80.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.443 . . . . 0.0 110.579 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.77 -39.11 87.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.442 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.57 78.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.262 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 38.6 tp -61.28 -43.3 99.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.028 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -21.47 61.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.519 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -81.41 -34.39 31.59 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.9 t -72.03 -31.84 66.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.875 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.514 HD13 HD13 ' A' ' 45' ' ' LEU . 6.1 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.999 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.419 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 58.7 m-85 . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.816 0.341 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -79.98 132.26 35.99 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.782 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -60.33 -37.84 81.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.068 0.461 . . . . 0.0 110.561 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.8 -47.0 87.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.768 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 15' ' ' ILE . 34.0 mt-30 -63.63 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.884 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.57 -50.39 80.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.8 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -69.08 -27.08 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.16 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.32 -43.92 59.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.517 0.199 . . . . 0.0 110.854 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 11' ' ' GLN . 76.1 mt -65.07 -44.62 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.31 -41.64 80.27 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.983 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.11 70.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 22' ' ' VAL . 44.7 mt-10 -63.94 -42.32 97.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.27 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 74.3 t -63.26 -49.76 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 110.982 178.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.58 -31.68 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.943 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.08 -44.27 89.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.41 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 18' ' ' GLU . 88.2 t -60.94 -41.02 87.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.025 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.526 HD13 HG23 ' A' ' 33' ' ' THR . 73.3 mt -63.21 -49.34 74.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.556 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.72 -44.03 97.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.662 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.41 -33.73 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.119 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -88.02 5.69 39.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.152 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.91 37.77 21.41 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.607 0.567 . . . . 0.0 111.317 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.525 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -64.99 117.72 8.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.235 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.524 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 16.0 m -76.69 162.91 68.8 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.418 176.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 4.6 Cg_endo -46.16 -50.13 10.44 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.373 2.715 . . . . 0.0 113.259 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.93 -50.85 67.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' O ' HG12 ' A' ' 36' ' ' ILE . 46.0 tp -64.09 -39.8 94.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.707 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.526 HG23 HD13 ' A' ' 23' ' ' LEU . 35.0 m -59.78 -46.54 88.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.83 -178.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.432 HD22 HG12 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -70.44 -34.42 72.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.486 178.449 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -58.05 -43.38 86.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.931 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.566 HG12 ' O ' ' A' ' 32' ' ' LEU . 43.8 mm -58.28 -51.37 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.218 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.58 87.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.317 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.64 -44.04 95.87 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.692 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -63.53 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.889 -0.183 . . . . 0.0 110.892 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 36' ' ' ILE . 92.9 mt -56.67 -58.93 3.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.077 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.06 86.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.152 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -58.07 -51.6 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.109 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -60.77 -40.81 93.92 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.041 0.448 . . . . 0.0 110.602 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 40' ' ' ILE . 86.6 t -62.14 -47.31 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 58' ' ' ALA . 7.2 mp -71.05 -13.26 61.92 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.804 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -85.69 -47.12 10.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.805 0.336 . . . . 0.0 111.084 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -115.6 -44.67 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -172.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HB2' HG13 ' A' ' 44' ' ' VAL . 37.3 mmt180 -90.35 -8.21 51.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -164.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.521 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 1.4 p -110.74 162.29 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.484 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.96 139.43 42.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.581 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.59 -47.19 40.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.344 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 p -78.8 -20.92 48.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.63 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.529 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 7.8 tp60 -78.46 -22.64 47.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.499 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 13.5 mtm180 -50.63 -54.31 23.84 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -173.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -63.69 -41.83 98.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.939 0.399 . . . . 0.0 110.434 -175.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.34 -50.68 29.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.684 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.529 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 9.4 tt -66.54 -33.29 62.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.529 0.204 . . . . 0.0 111.109 -174.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.652 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -68.11 -47.62 67.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.205 0.526 . . . . 0.0 110.561 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.62 -40.35 88.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.057 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -56.75 -48.1 78.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.304 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.791 ' HE2' ' HE1' ' B' ' 61' ' ' PHE . 90.4 t80 -61.83 -46.88 87.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.167 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.6 99.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.112 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -67.73 -34.87 77.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.63 -32.41 73.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 110.79 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.4 tp -73.84 -31.51 63.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.418 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.7 mmt -81.67 -20.88 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.372 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 p -88.08 -24.07 23.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.905 0.384 . . . . 0.0 110.629 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.2 p -92.71 5.35 51.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.269 0.556 . . . . 0.0 109.915 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.692 HD11 ' HG2' ' B' ' 54' ' ' ARG . 52.3 tp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.551 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.3 -41.42 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.513 -176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 46.6 mt-10 -67.02 -40.34 87.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.491 ' O ' HG13 ' B' ' 15' ' ' ILE . 6.1 tp-100 -57.07 -46.44 82.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.017 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 32' ' ' LEU . 59.1 t -57.7 -47.41 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.426 178.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.06 -38.44 91.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.332 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 74.8 mmtt -66.14 -46.24 78.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.689 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 11' ' ' GLN . 67.6 mt -60.06 -43.06 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.437 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.42 HD23 HG23 ' A' ' 36' ' ' ILE . 93.1 mt -56.44 -43.28 79.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.0 90.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.5 mt-10 -66.54 -42.45 87.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.087 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.44 HG11 HD11 ' A' ' 40' ' ' ILE . 72.4 t -62.77 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.757 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.17 -32.93 74.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 tp -66.61 -37.66 85.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.951 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 18' ' ' GLU . 66.7 t -59.77 -42.3 88.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.33 0.586 . . . . 0.0 109.69 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.529 HD13 HG23 ' B' ' 33' ' ' THR . 48.7 mt -65.95 -41.87 90.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.161 177.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.68 -53.78 45.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.23 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -61.23 -27.22 68.28 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -95.06 2.56 55.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.294 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 53.26 47.43 24.34 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.492 0.495 . . . . 0.0 111.716 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.73 139.39 56.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.562 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -86.89 161.37 47.45 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.001 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.29 -51.32 9.69 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.306 2.671 . . . . 0.0 113.824 -177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.419 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 29.7 mm-40 -57.86 -50.71 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.928 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.549 ' O ' HG12 ' B' ' 36' ' ' ILE . 42.9 tp -59.32 -34.52 72.43 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.758 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.529 HG23 HD13 ' B' ' 23' ' ' LEU . 56.0 m -61.36 -50.8 71.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.994 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.44 -26.14 61.72 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.983 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm -59.8 -42.58 93.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.549 HG12 ' O ' ' B' ' 32' ' ' LEU . 47.6 mm -61.22 -50.72 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.362 176.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 -49.37 77.33 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.405 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.21 -50.75 54.64 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.233 -0.508 . . . . 0.0 113.072 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.54 -35.21 73.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.856 0.328 . . . . 0.0 111.247 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 36' ' ' ILE . 65.0 mt -59.14 -53.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 175.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.609 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -60.34 -48.1 83.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.978 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.2 m -58.33 -42.04 85.92 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.556 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -64.06 -40.7 96.86 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.605 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' B' ' 47' ' ' GLN . 62.7 t -71.28 -34.17 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.821 0.343 . . . . 0.0 110.709 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.8 mt -61.85 -29.57 70.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.226 175.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -86.86 -46.19 10.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.292 0.567 . . . . 0.0 110.277 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.548 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 45.3 mt-30 -124.51 126.79 46.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.508 -175.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' B' ' 47' ' ' GLN . 58.0 mtm180 94.72 14.19 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.864 1.265 . . . . 0.0 112.088 175.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.53 HG21 HG21 ' B' ' 57' ' ' ILE . 1.4 p -140.48 153.69 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.317 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.37 147.25 38.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.18 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.12 75.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.726 0.298 . . . . 0.0 111.172 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.2 p -69.12 -42.84 75.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.0 110.707 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.468 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 7.8 tp60 -66.98 -26.86 67.02 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.601 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.692 ' HG2' HD11 ' A' ' 69' ' ' LEU . 33.0 ttm180 -49.06 -53.79 18.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.717 -172.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmpt? -69.45 -41.36 76.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.912 0.387 . . . . 0.0 110.401 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.58 -45.87 74.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.687 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.53 HG21 HG21 ' B' ' 49' ' ' VAL . 15.4 tt -70.17 -31.91 49.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.711 -176.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.55 73.41 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.07 0.462 . . . . 0.0 110.232 175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -72.44 -39.86 67.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.113 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -54.61 -47.62 73.18 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.159 172.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.791 ' HE1' ' HE2' ' A' ' 61' ' ' PHE . 52.7 t80 -54.78 -54.35 43.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.62 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -62.15 -46.26 89.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.416 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.59 -46.45 85.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.6 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.83 89.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.37 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.31 -42.21 98.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.867 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 17.7 mmt -76.71 -20.15 56.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.335 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 58.4 m -82.87 -23.83 33.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.595 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.7 p -94.32 -3.82 49.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.241 0.543 . . . . 0.0 110.188 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.424 HD13 HD23 ' A' ' 45' ' ' LEU . 51.1 tp . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.886 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.532 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 92.7 m-85 . . . . . 0 N--CA 1.466 0.357 0 CA-C-O 120.604 0.24 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.508 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 23.6 p -75.12 131.59 40.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -58.68 -46.77 86.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -171.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.508 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -57.64 -48.01 80.64 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 123.224 0.328 . . . . 0.0 110.472 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 15' ' ' ILE . 58.6 tt0 -53.58 -55.08 28.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.04 -45.84 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.989 0.423 . . . . 0.0 111.104 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -69.13 -35.29 76.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.02 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 5.9 mptp? -71.03 -40.03 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 11' ' ' GLN . 82.1 mt -62.4 -41.32 91.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.71 -40.13 86.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.655 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.36 87.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 48.2 mt-10 -64.81 -45.09 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.197 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' HD13 ' A' ' 23' ' ' LEU . 98.8 t -61.72 -45.07 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.25 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.036 0.446 . . . . 0.0 111.021 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -64.83 -34.96 79.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.104 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 18' ' ' GLU . 85.3 t -68.87 -39.37 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.297 0.57 . . . . 0.0 109.969 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 19' ' ' VAL . 3.9 mp -60.7 -49.0 79.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.134 176.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.07 -39.78 93.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.576 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -54.15 -42.14 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.837 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -105.32 7.5 33.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.533 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.67 47.37 10.64 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.135 0.493 . . . . 0.0 111.134 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.57 121.34 15.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.284 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.496 ' OG ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 t -77.04 152.59 82.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.817 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.496 ' HD2' ' OG ' ' A' ' 29' ' ' SER . 1.6 Cg_endo -45.82 -40.71 19.79 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.93 3.087 . . . . 0.0 114.128 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 1.7 mp0 -60.22 -45.64 92.51 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.301 0.572 . . . . 0.0 109.702 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.8 -37.42 87.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.112 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 m -56.29 -52.81 63.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.254 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.4 -23.82 57.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.964 0.411 . . . . 0.0 110.248 -177.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.8 ttm -62.72 -48.06 80.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.261 0.553 . . . . 0.0 109.741 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.5 mt -60.25 -40.87 85.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.096 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.55 79.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.951 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.43 -37.56 79.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.123 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -62.04 -42.87 99.64 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.495 ' O ' HG23 ' A' ' 44' ' ' VAL . 85.4 mt -58.42 -56.06 18.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.398 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.665 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -54.04 -52.83 59.61 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.424 -177.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.2 m -59.88 -45.72 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.418 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -64.1 -36.67 84.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.808 0.337 . . . . 0.0 110.807 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 40' ' ' ILE . 83.2 t -64.6 -42.0 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 175.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 76.6 mt -62.59 -33.6 75.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.539 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.24 -56.11 6.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.247 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -100.95 -39.59 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -165.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 48' ' ' ARG . 48.6 mtt180 -108.04 19.48 19.94 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -164.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 57' ' ' ILE . 3.1 p -144.27 158.96 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.245 176.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.17 144.48 48.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.94 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.94 -44.65 70.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.688 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.4 m -73.43 -20.0 60.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.368 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -85.76 -19.41 30.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.366 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.813 ' HB3' HD11 ' B' ' 69' ' ' LEU . 88.0 mtt180 -51.94 -47.03 64.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.995 -175.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.733 ' HA ' HD21 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -60.82 -54.84 40.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.4 -52.79 63.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.814 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.508 HG21 HG21 ' A' ' 49' ' ' VAL . 11.6 tt -69.76 -24.65 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.383 -171.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.74 -42.95 57.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 110.646 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 55' ' ' LYS . 42.1 mt-10 -71.17 -33.02 69.62 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -53.43 -42.05 66.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.165 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.477 ' HB2' HD21 ' B' ' 34' ' ' LEU . 80.7 t80 -64.18 -53.21 52.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.784 176.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 66' ' ' MET . . . -62.8 -42.97 99.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.049 -174.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.54 -37.73 85.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.69 0.281 . . . . 0.0 110.792 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.39 82.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.014 0.435 . . . . 0.0 110.111 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.4 tp -63.98 -41.11 97.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.795 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -65.81 -28.92 69.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.672 -178.59 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 m -85.71 -25.38 26.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.844 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -89.08 5.59 43.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.386 0.612 . . . . 0.0 110.449 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.382 178.808 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 121.164 0.507 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.99 -20.51 66.53 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.637 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.36 -42.53 99.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.008 0.432 . . . . 0.0 110.31 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.415 ' O ' HG13 ' B' ' 15' ' ' ILE . 50.9 tt0 -67.51 -48.06 68.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.033 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 46.2 t -63.63 -52.81 52.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.396 -177.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.63 -40.71 92.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.36 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -67.36 -46.35 73.62 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.17 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.424 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 74.2 mt -60.79 -41.49 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.537 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 90.6 mt -56.94 -44.31 82.37 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 177.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.91 95.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.011 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.464 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.3 mt-10 -61.27 -52.15 65.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.755 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 92.3 t -59.18 -49.4 83.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.52 79.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.254 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -67.52 -41.46 84.37 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 18' ' ' GLU . 91.9 t -60.99 -42.76 94.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.352 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 66.6 mt -61.73 -46.68 88.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.625 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.22 -30.5 66.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.519 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.58 -35.07 78.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.612 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -96.47 7.99 45.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.74 46.3 9.16 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.613 0.571 . . . . 0.0 111.223 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.534 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -69.64 120.02 14.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.214 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.478 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 23.9 m -68.75 160.63 76.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.946 175.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 6.4 Cg_endo -49.19 -50.0 13.97 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.303 2.669 . . . . 0.0 113.226 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.44 -46.46 88.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.246 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' B' ' 28' ' ' ALA . 56.1 tp -60.24 -45.14 94.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.345 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 96.9 m -57.23 -52.9 63.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.138 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 61' ' ' PHE . 5.9 tt -70.38 -31.17 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.656 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.2 ttp -66.23 -36.74 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 0.0 110.317 175.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.42 ' O ' HG13 ' B' ' 40' ' ' ILE . 33.5 mt -62.89 -43.38 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.551 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.03 83.31 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 110.127 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.11 -44.52 95.64 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.045 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -56.61 -45.61 81.37 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 110.491 177.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.448 ' O ' HG23 ' B' ' 44' ' ' VAL . 87.7 mt -54.9 -57.81 5.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.523 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.83 -43.49 85.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.299 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 76.6 m -58.52 -54.33 48.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.361 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -64.15 -34.07 77.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.607 0.241 . . . . 0.0 111.214 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 40' ' ' ILE . 75.5 t -68.93 -46.46 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.661 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.6 mt -64.8 -37.25 86.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.773 0.321 . . . . 0.0 111.575 -178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -84.06 -23.65 30.74 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -124.02 -50.1 1.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -84.42 -42.76 15.33 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -170.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.54 HG21 HG21 ' B' ' 57' ' ' ILE . 4.2 p -77.45 155.23 5.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.919 0.39 . . . . 0.0 111.51 -172.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.05 129.81 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.789 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.69 -47.88 50.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.258 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.5 m -72.3 -12.12 61.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.87 0.367 . . . . 0.0 111.751 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -106.95 -4.57 18.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.356 0.598 . . . . 0.0 109.673 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -62.36 -53.4 55.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.913 -169.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -67.09 -41.16 86.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.381 0.61 . . . . 0.0 110.361 -175.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 90.5 mt -69.82 -50.78 39.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.686 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.54 HG21 HG21 ' B' ' 49' ' ' VAL . 11.1 tt -67.09 -30.12 48.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.023 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.53 86.17 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.203 0.525 . . . . 0.0 110.172 176.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.39 -44.05 72.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.232 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 66.7 mttm -58.05 -42.11 84.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.833 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.44 -47.59 81.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.024 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.9 96.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.766 0.317 . . . . 0.0 110.434 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.52 -47.85 83.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.409 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.72 89.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.769 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LEU . . . . . 0.404 ' HB3' ' HE3' ' B' ' 66' ' ' MET . 19.7 tp -64.33 -47.17 80.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.257 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.404 ' HE3' ' HB3' ' B' ' 65' ' ' LEU . 0.0 OUTLIER -65.64 -30.41 71.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 110.975 177.745 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -76.15 -17.94 59.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.8 m -99.38 5.89 46.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.458 0.647 . . . . 0.0 110.236 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 54' ' ' ARG . 35.3 tp . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.077 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 121.458 0.647 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.7 m -76.72 119.6 20.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.937 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -39.33 60.37 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.831 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -54.86 -51.68 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.58 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.563 ' O ' HG13 ' A' ' 15' ' ' ILE . 62.9 tt0 -55.26 -54.16 47.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.436 HG22 HD11 ' B' ' 32' ' ' LEU . 85.7 t -55.89 -52.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.078 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.6 -47.09 85.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.936 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 2.6 mptp? -70.12 -31.9 69.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.629 -175.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 11' ' ' GLN . 67.7 mt -68.66 -37.7 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.066 0.46 . . . . 0.0 109.907 175.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.454 HD23 HG23 ' B' ' 36' ' ' ILE . 82.0 mt -60.7 -40.83 93.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.576 176.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -59.98 -38.89 83.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.826 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 5.8 mm-40 -59.85 -52.58 64.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.294 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 48.1 t -62.07 -39.91 85.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.792 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.66 -36.85 74.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 84.9 mt -70.17 -33.36 71.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.698 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.9 -40.32 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 74.4 mt -67.99 -32.31 72.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.464 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.96 -54.06 21.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.025 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -64.84 -23.08 67.12 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.54 ' CG ' HG12 ' B' ' 15' ' ' ILE . 89.6 m-70 -100.16 -5.32 27.94 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.356 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.5 46.94 23.87 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.468 0.48 . . . . 0.0 110.945 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.85 129.29 39.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.046 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -67.25 161.15 66.62 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.473 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.37 -55.96 2.92 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.969 2.446 . . . . 0.0 113.625 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HG2' HD11 ' B' ' 57' ' ' ILE . 33.0 mt-10 -61.27 -40.57 94.58 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.669 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 36' ' ' ILE . 63.7 tp -57.29 -48.88 77.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.009 0.433 . . . . 0.0 110.097 175.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -53.57 -50.88 64.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.362 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD21 ' CG ' ' B' ' 61' ' ' PHE . 8.3 tt -71.34 -34.89 70.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.852 -176.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.9 ttp -64.94 -34.73 79.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.519 HG23 HD23 ' B' ' 16' ' ' LEU . 63.6 mt -60.92 -45.14 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.212 174.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.31 87.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 110.475 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.32 -39.93 96.21 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.459 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -63.93 -38.31 90.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.2 mt -56.59 -56.55 13.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.364 173.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.75 -42.25 88.43 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.995 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -58.71 -46.72 86.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -60.24 -39.38 86.49 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.597 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 40' ' ' ILE . 58.3 t -62.8 -43.82 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.0 109.87 175.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 65.5 mt -66.49 -21.25 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.132 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -82.79 -54.35 5.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.691 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -122.15 -7.8 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -168.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.414 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 75.7 mtp180 -126.86 27.74 5.95 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.582 -169.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.446 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 4.8 p -153.63 167.29 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 177.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -89.73 156.66 18.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.827 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.57 -53.31 59.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.733 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -65.03 -27.91 69.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 5.2 tp60 -82.48 -15.49 52.28 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.405 -174.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 54' ' ' ARG . 15.4 mtm180 -58.11 -56.94 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HA ' HD21 ' B' ' 69' ' ' LEU . 18.1 tptm -65.74 -38.84 90.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.784 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.28 -49.18 67.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.625 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.6 tt -73.51 -31.21 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.725 0.297 . . . . 0.0 110.973 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.45 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 110.254 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.93 -39.22 76.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.814 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -59.78 -43.94 94.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.009 0.433 . . . . 0.0 109.914 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.497 ' HE2' ' CE2' ' B' ' 61' ' ' PHE . 66.1 t80 -57.11 -53.9 52.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.631 177.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.56 -43.0 93.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.32 -46.75 88.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.633 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.82 92.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.15 -38.61 85.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.506 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 32.3 mmt -67.35 -28.4 67.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.093 0.473 . . . . 0.0 110.1 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.8 t -70.71 -47.33 60.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.694 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.9 m -83.87 -3.96 58.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.452 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' B' ' 55' ' ' LYS . 16.2 tp . . . . . 0 C--O 1.235 0.292 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.247 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.446 -0.651 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -53.45 -36.79 61.97 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.383 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 16.4 mp0 -54.21 -51.7 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.201 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.619 ' O ' HG13 ' B' ' 15' ' ' ILE . 29.5 tt0 -63.37 -44.31 95.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.204 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.12 -51.09 58.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -52.0 -53.76 37.86 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 123.434 0.459 . . . . 0.0 111.575 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.589 ' HD2' ' N ' ' B' ' 14' ' ' LYS . 7.3 mptt -68.41 -32.58 72.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.004 -170.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.619 HG13 ' O ' ' B' ' 11' ' ' GLN . 55.5 mt -66.11 -53.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.519 HD23 HG23 ' A' ' 36' ' ' ILE . 91.8 mt -56.77 -41.61 77.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.027 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.26 85.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.109 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.413 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.9 mt-10 -76.67 -35.13 58.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.104 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.534 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 86.3 t -62.2 -45.33 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 110.327 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.81 -32.78 74.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.558 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.87 -42.04 90.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.753 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 18' ' ' GLU . 72.9 t -61.2 -43.55 96.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 71.9 mt -61.5 -38.1 86.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.268 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -68.86 -46.18 69.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.705 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -56.33 -45.45 80.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.656 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -91.28 7.91 38.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.663 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.14 47.8 22.41 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.141 0.496 . . . . 0.0 111.624 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.526 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -73.53 118.16 16.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.392 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -66.85 163.3 44.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.571 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.64 -52.9 7.82 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.933 2.422 . . . . 0.0 113.65 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -68.81 -34.34 75.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.615 0.245 . . . . 0.0 110.747 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' B' ' 28' ' ' ALA . 63.1 tp -64.04 -42.9 96.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.235 0.541 . . . . 0.0 109.742 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 53.3 m -57.67 -47.02 83.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.849 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.18 -33.93 70.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.704 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.1 ttm -62.1 -45.58 92.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.119 0.485 . . . . 0.0 109.937 175.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.601 ' O ' HG12 ' B' ' 40' ' ' ILE . 32.4 mt -58.03 -40.86 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.37 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.55 78.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.01 0.433 . . . . 0.0 110.407 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.02 -39.92 94.99 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.708 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -59.83 -41.6 91.72 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.601 HG12 ' O ' ' B' ' 36' ' ' ILE . 46.2 mm -59.38 -56.74 15.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.433 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.11 -39.25 74.72 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.116 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -61.24 -47.63 85.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.713 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -63.06 -36.51 83.82 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.918 0.39 . . . . 0.0 110.784 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 40' ' ' ILE . 67.4 t -61.01 -47.07 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.85 174.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.465 ' HA ' HG11 ' B' ' 49' ' ' VAL . 92.4 mt -65.67 -29.7 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.329 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -70.02 -51.04 35.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.511 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -122.0 -45.55 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -169.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 48' ' ' ARG . 52.6 mtt180 -93.49 43.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -167.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.545 HG13 ' HE ' ' B' ' 54' ' ' ARG . 9.8 p -159.18 150.0 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.932 0.396 . . . . 0.0 111.047 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.7 153.1 33.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.33 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.701 0.286 . . . . 0.0 111.691 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 m -65.76 -26.61 67.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.047 0.451 . . . . 0.0 111.286 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -88.23 -17.76 30.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.335 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.545 ' HE ' HG13 ' B' ' 49' ' ' VAL . 21.4 ttm180 -59.34 -59.88 4.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.387 -168.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.481 ' HG2' HD21 ' A' ' 69' ' ' LEU . 46.6 mtpt -70.41 -31.06 68.1 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.476 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.85 -44.55 63.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.672 0.272 . . . . 0.0 111.151 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.625 ' HA ' ' HD3' ' B' ' 60' ' ' LYS . 13.1 tt -68.76 -29.2 42.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.022 -177.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.69 -42.52 81.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.728 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.29 -37.12 69.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.521 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.625 ' HD3' ' HA ' ' B' ' 57' ' ' ILE . 51.2 mtpt -52.52 -49.51 64.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.354 0.597 . . . . 0.0 110.007 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.497 ' CE2' ' HE2' ' A' ' 61' ' ' PHE . 9.7 t80 -61.42 -52.44 64.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.681 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' B' ' 66' ' ' MET . . . -57.46 -40.77 79.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.563 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -62.75 -46.67 86.99 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.12 82.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.86 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.668 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' B' ' 62' ' ' ALA . 0.0 OUTLIER -72.56 -19.42 61.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.216 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.5 m -93.66 -30.95 14.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.177 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 36.7 p -89.63 13.22 14.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.369 0.604 . . . . 0.0 110.291 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' ' 55' ' ' LYS . 35.6 tp . . . . . 0 CA--C 1.536 0.415 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.47 -176.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.435 ' HB3' ' H ' ' A' ' 8' ' ' THR . 90.9 m-85 . . . . . 0 C--O 1.235 0.326 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.435 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 51.7 p -88.02 143.84 26.86 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.49 -29.73 70.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.62 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.41 -49.08 67.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.381 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 15' ' ' ILE . 52.4 tt0 -58.93 -57.16 14.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.928 -175.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.45 -45.82 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.105 -177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.6 -40.43 91.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.413 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 66.7 mmtt -75.48 -36.59 60.6 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 11' ' ' GLN . 50.9 mt -67.23 -46.15 84.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.395 175.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.4 HD23 HG23 ' B' ' 36' ' ' ILE . 74.5 mt -60.14 -36.03 76.62 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.5 176.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' LEU . . . -56.49 -54.15 49.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.784 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.6 mt-10 -67.87 -44.3 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.314 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 75.2 t -59.36 -51.04 77.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.672 0.272 . . . . 0.0 111.094 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.72 -32.21 72.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.815 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 2.5 tt -64.44 -42.16 96.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' GLU . 82.2 t -58.72 -44.51 90.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.984 0.421 . . . . 0.0 110.175 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.53 HD13 HG23 ' A' ' 33' ' ' THR . 58.9 mt -62.83 -43.27 99.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.392 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.96 -46.83 70.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.749 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -65.64 -34.46 78.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.641 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -91.3 7.27 41.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.804 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.89 46.76 19.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.83 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -70.99 124.07 23.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.54 ' HB2' ' OE1' ' A' ' 31' ' ' GLU . 5.5 m -67.68 162.03 61.01 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.202 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.54 -49.81 16.18 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.883 2.388 . . . . 0.0 113.506 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.54 ' OE1' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -71.38 -36.17 71.32 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.537 -177.429 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 28' ' ' ALA . 57.6 tp -59.2 -47.18 86.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.159 0.504 . . . . 0.0 109.954 171.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.53 HG23 HD13 ' A' ' 23' ' ' LEU . 54.4 m -56.35 -49.17 75.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.128 177.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.436 HD12 ' HB ' ' B' ' 44' ' ' VAL . 0.5 OUTLIER -69.53 -33.51 72.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.857 -175.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -64.0 -40.63 96.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 40' ' ' ILE . 43.6 mt -60.9 -41.89 90.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.659 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.22 91.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.975 0.417 . . . . 0.0 110.656 177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.98 93.41 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.112 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -64.09 -39.94 95.16 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 36' ' ' ILE . 80.6 mt -56.86 -53.64 39.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.238 175.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.02 -45.27 87.18 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.493 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.3 m -56.33 -49.13 75.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.245 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -59.83 -46.97 87.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.597 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 40' ' ' ILE . 62.9 t -61.68 -47.36 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.783 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.803 HD13 HD12 ' B' ' 69' ' ' LEU . 94.4 mt -63.25 -32.4 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 111.733 -177.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -78.13 -41.84 33.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -117.57 -34.29 4.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -110.74 18.88 19.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -165.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 3.9 p -139.82 164.88 22.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -77.92 143.94 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.367 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.45 -46.35 80.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.261 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 m -63.31 -29.48 70.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.604 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 8.1 tp60 -87.49 -16.6 34.27 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.349 -172.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 14.2 mtm-85 -53.89 -58.68 6.37 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -173.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.53 -39.81 94.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.92 0.39 . . . . 0.0 110.544 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.04 -48.16 63.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.762 -175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.9 tt -74.03 -30.37 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.12 71.52 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.192 0.52 . . . . 0.0 110.005 175.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -68.97 -37.67 78.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.863 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 9.2 mtpm? -56.96 -45.7 82.66 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.52 ' HB2' HD21 ' B' ' 34' ' ' LEU . 86.6 t80 -58.58 -53.99 52.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.722 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.9 -46.91 87.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.721 -176.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 6.8 tp60 -67.62 -39.25 84.69 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.618 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.92 76.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.325 0.583 . . . . 0.0 110.191 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.3 tp -70.08 -41.67 73.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.581 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.5 mmt -79.18 -11.6 59.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.327 -176.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 p -94.64 -25.25 16.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 p -91.01 -25.44 19.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.182 0.515 . . . . 0.0 110.381 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.434 HD11 ' CG ' ' B' ' 54' ' ' ARG . 58.1 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.667 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.42 -27.08 69.05 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.849 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 4.9 tm-20 -60.14 -47.61 85.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 174.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -61.17 -52.44 64.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.906 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 98.0 t -59.38 -41.74 85.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.64 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.64 -40.9 93.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.558 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 32.5 mmtp -65.14 -45.55 84.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.402 ' O ' HG23 ' B' ' 19' ' ' VAL . 57.5 mt -63.16 -41.91 94.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.364 . . . . 0.0 110.239 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 95.7 mt -60.77 -42.64 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.654 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.54 95.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 29.3 mm-40 -62.47 -50.73 70.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.446 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.595 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 97.1 t -59.89 -49.3 84.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.04 75.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.582 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.09 -43.38 87.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.104 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 18' ' ' GLU . 95.7 t -61.01 -38.88 80.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 110.521 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 75.6 mt -61.83 -49.92 74.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.369 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.59 -33.28 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.538 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.11 -37.78 78.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.756 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -99.28 7.12 45.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.81 41.44 28.05 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 122.779 0.432 . . . . 0.0 111.889 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 149.99 49.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.214 0.53 . . . . 0.0 111.778 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -89.81 165.22 25.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.253 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.21 -49.67 14.53 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.807 2.338 . . . . 0.0 113.531 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' B' ' 31' ' ' GLU . 0.0 OUTLIER -73.57 -32.22 64.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.438 -176.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.29 -45.76 93.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.168 0.509 . . . . 0.0 109.641 171.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.447 HG23 HD13 ' B' ' 23' ' ' LEU . 55.3 m -55.52 -49.13 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.038 176.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 61' ' ' PHE . 7.7 tt -69.03 -34.82 75.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.757 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -65.66 -38.02 88.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.096 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.4 HG23 HD23 ' A' ' 16' ' ' LEU . 46.3 mt -58.21 -45.23 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.615 175.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.35 -37.49 75.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.521 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.82 89.33 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.01 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -59.32 -37.76 78.6 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.542 0.211 . . . . 0.0 110.817 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.435 ' O ' HG23 ' B' ' 44' ' ' VAL . 72.2 mt -59.26 -56.02 19.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.237 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.65 86.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.046 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 49.4 m -57.66 -53.29 59.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.45 -45.96 90.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.576 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 58.7 t -63.44 -47.2 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.088 -178.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.03 -25.24 65.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -92.07 -46.36 7.82 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.823 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -113.46 -7.12 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -169.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.576 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 97.8 mtt180 -131.96 23.0 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.414 HG21 HG21 ' B' ' 57' ' ' ILE . 3.3 p -146.93 158.24 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.85 146.39 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.618 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.68 98.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.556 0.217 . . . . 0.0 111.452 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 16.2 m -65.41 -31.01 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.217 0.532 . . . . 0.0 110.37 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 4.1 tp-100 -85.52 -18.53 33.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.343 -178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.434 ' CG ' HD11 ' A' ' 69' ' ' LEU . 32.8 ttm180 -53.38 -59.99 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.765 -169.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -79.36 -16.77 55.73 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.242 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -80.3 -45.79 17.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.131 0.491 . . . . 0.0 109.774 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.439 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.5 tt -73.53 -29.05 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.882 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.82 -34.02 68.97 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.107 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.04 -44.17 93.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -62.24 -48.58 79.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.229 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.24 -51.14 69.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.434 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.97 83.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.051 0.453 . . . . 0.0 110.949 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -66.17 -36.77 83.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.83 86.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.623 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.75 -46.6 88.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.435 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -26.35 64.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.396 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.0 m -78.18 -24.8 47.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.959 0.409 . . . . 0.0 110.345 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -97.62 1.12 48.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.44 0.638 . . . . 0.0 109.869 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.803 HD12 HD13 ' A' ' 45' ' ' LEU . 7.9 tt . . . . . 0 N--CA 1.449 -0.49 0 CA-C-N 115.513 -0.767 . . . . 0.0 108.992 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.4 m -52.94 114.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.695 0.622 . . . . 0.0 110.76 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -54.94 -44.53 74.39 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.262 -173.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.758 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 22.8 mt-10 -55.38 -49.5 72.15 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.077 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -55.2 -47.96 74.53 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.497 0.498 . . . . 0.0 110.987 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' B' ' 32' ' ' LEU . 38.9 t -61.42 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.017 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.79 -34.39 77.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.375 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.758 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 30.8 mmtp -65.65 -48.23 72.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.097 0.475 . . . . 0.0 110.068 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.88 -42.11 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.952 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -59.43 -36.14 75.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.789 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.12 81.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.676 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.93 -46.63 86.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.014 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.26 -41.66 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.745 0.307 . . . . 0.0 111.076 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.14 78.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.6 mt -69.94 -31.05 68.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.976 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -66.02 -42.09 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.255 0.55 . . . . 0.0 109.832 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.8 mt -69.07 -39.21 79.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.344 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.83 -44.91 88.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.392 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -68.19 -23.67 64.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.691 0.281 . . . . 0.0 111.495 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -93.84 -4.18 50.55 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.189 -0.204 . . . . 0.0 111.022 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.42 44.14 27.59 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.558 0.536 . . . . 0.0 110.666 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -62.85 131.08 47.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.578 -176.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -72.98 163.8 65.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.856 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -52.72 -46.08 36.02 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.52 2.147 . . . . 0.0 112.676 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -69.44 -39.41 77.82 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.462 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 28' ' ' ALA . 58.5 tp -62.61 -46.9 86.14 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.086 0.469 . . . . 0.0 109.79 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.1 m -53.45 -51.14 63.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.952 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' B' ' 61' ' ' PHE . 8.5 tt -70.73 -34.9 72.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.842 -176.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.9 ttp -64.76 -34.08 77.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.27 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' ' 40' ' ' ILE . 31.1 mt -64.6 -42.36 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.524 175.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.1 83.68 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.621 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.81 -41.0 99.93 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.179 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -62.03 -41.74 98.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.47 0.176 . . . . 0.0 110.547 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 36' ' ' ILE . 86.8 mt -56.45 -56.49 13.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.561 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.8 -53.73 54.46 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.36 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.4 m -55.16 -43.07 73.92 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.095 0.474 . . . . 0.0 111.489 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -63.95 -47.46 80.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.58 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 87.8 t -65.98 -35.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.744 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.73 HD13 HD13 ' B' ' 69' ' ' LEU . 96.0 mt -65.15 -25.92 67.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.845 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -89.8 -41.43 11.86 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.091 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.559 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 28.8 pt20 -136.59 137.58 40.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.86 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 94.9 mtt-85 91.95 14.65 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.182 1.393 . . . . 0.0 110.854 -178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG11 ' HA ' ' A' ' 45' ' ' LEU . 1.3 p -141.39 158.93 22.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 120.762 0.315 . . . . 0.0 110.314 173.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -79.66 163.08 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.805 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.34 -41.44 56.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.482 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -63.12 -34.57 77.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.339 0.59 . . . . 0.0 110.121 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -88.33 -8.0 55.82 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.568 -176.693 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -60.11 -67.91 0.34 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.935 -170.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -74.66 -26.9 60.16 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.1 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -48.32 72.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.241 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.1 tt -69.9 -32.25 51.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.044 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.34 88.49 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.931 0.396 . . . . 0.0 110.764 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.16 -40.18 71.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.56 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -60.19 -40.87 91.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.099 0.476 . . . . 0.0 110.129 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -60.61 -51.22 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.08 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -57.08 -40.74 77.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -65.29 -47.46 76.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.271 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.04 -38.52 79.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.676 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.17 -42.54 96.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.483 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 25.4 mmt -71.61 -31.0 66.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.176 0.513 . . . . 0.0 110.301 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.3 m -71.71 -19.01 62.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.067 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -110.53 13.0 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.39 0.614 . . . . 0.0 110.499 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 tp . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.148 179.377 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.507 0.194 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.1 -40.31 73.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.208 0.528 . . . . 0.0 110.809 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.626 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 2.0 mp0 -53.73 -48.45 69.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.228 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.563 ' O ' HG13 ' B' ' 15' ' ' ILE . 36.5 tt0 -70.63 -40.75 72.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.62 -176.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 80.8 t -58.84 -44.78 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.63 -42.31 74.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.191 0.52 . . . . 0.0 110.495 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 34.3 mmtp -69.9 -44.12 70.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.593 -178.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 11' ' ' GLN . 54.8 mt -62.96 -41.41 92.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.782 0.325 . . . . 0.0 110.289 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 93.5 mt -58.37 -40.41 82.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.547 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.93 89.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.655 177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.487 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.9 mt-10 -57.58 -49.88 74.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.725 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 87.9 t -62.3 -48.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.167 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -61.38 -34.46 75.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.86 0.362 . . . . 0.0 111.146 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 tt -66.02 -39.81 90.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.332 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 18' ' ' GLU . 66.1 t -63.0 -38.4 81.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.224 0.535 . . . . 0.0 110.275 177.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.636 HD13 HG23 ' B' ' 33' ' ' THR . 58.6 mt -64.17 -49.64 71.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.341 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -71.66 -21.77 61.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.198 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.9 -33.62 76.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.445 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -104.9 4.99 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.07 44.56 22.4 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.292 0.568 . . . . 0.0 110.792 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.65 122.7 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.31 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.428 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 33.4 m -71.4 159.77 84.53 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.056 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 1.7 Cg_endo -44.03 -48.37 9.42 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.657 2.905 . . . . 0.0 113.429 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 3.1 mp0 -57.39 -50.43 72.99 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.302 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.4 ' CD1' HG22 ' A' ' 12' ' ' VAL . 54.8 tp -63.49 -47.21 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.898 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.636 HG23 HD13 ' B' ' 23' ' ' LEU . 53.5 m -56.96 -50.25 73.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.515 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 tt -72.77 -31.21 64.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.294 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.9 ttm -61.33 -39.82 91.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.204 0.526 . . . . 0.0 109.961 175.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.84 -44.03 98.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.741 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.86 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.48 . . . . 0.0 110.168 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.72 -46.16 92.65 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.114 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -55.75 -39.95 71.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.52 0.2 . . . . 0.0 110.696 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.441 ' O ' HG23 ' B' ' 44' ' ' VAL . 75.2 mt -59.96 -59.75 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.477 175.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.502 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.64 -42.24 83.01 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.354 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 53.1 m -56.63 -52.97 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.043 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.23 -41.53 97.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.522 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.834 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 69.3 t -62.39 -49.33 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.72 177.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 91.2 mt -68.74 -16.54 63.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.889 -176.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -97.96 -51.2 4.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -122.68 6.24 9.45 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -168.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.834 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 28.5 mmt180 -123.94 10.51 8.87 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.206 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.617 HG21 HG21 ' B' ' 57' ' ' ILE . 9.8 p -144.62 152.67 15.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.837 0.351 . . . . 0.0 110.374 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.41 151.64 42.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.744 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.46 80.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.789 0.328 . . . . 0.0 111.235 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -66.79 -30.05 70.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.403 0.621 . . . . 0.0 110.472 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.579 ' HB3' HG22 ' B' ' 49' ' ' VAL . 5.1 tp60 -94.17 -4.96 48.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.448 -174.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.65 -65.05 0.75 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.9 -169.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.7 -29.38 67.81 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.943 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.62 -49.92 71.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.127 0.489 . . . . 0.0 109.829 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.617 HG21 HG21 ' B' ' 49' ' ' VAL . 9.9 tt -75.03 -28.58 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.36 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.71 80.51 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.15 0.5 . . . . 0.0 110.159 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.68 -36.91 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.99 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -56.74 -54.31 47.77 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.886 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.507 ' HB2' HD21 ' A' ' 34' ' ' LEU . 90.6 t80 -58.15 -53.32 59.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.467 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -62.1 -48.93 77.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.698 -175.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -65.9 -41.43 91.5 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.649 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.34 96.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 0.0 110.403 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 tp -62.7 -38.74 91.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.259 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.5 mmt -76.74 -34.5 58.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 65.1 p -73.82 -21.76 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 0.0 110.766 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 18.0 t -103.21 9.36 38.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.227 0.537 . . . . 0.0 109.853 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.73 HD13 HD13 ' A' ' 45' ' ' LEU . 68.9 tp . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.012 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.2 m -89.8 124.0 34.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.552 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -58.89 -40.44 84.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.315 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.92 -42.33 75.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.352 . . . . 0.0 111.131 176.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 15' ' ' ILE . 52.8 tt0 -69.32 -55.26 10.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.202 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.412 HG22 ' CD1' ' B' ' 32' ' ' LEU . 60.4 t -55.96 -51.25 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.332 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.85 -44.14 97.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -29.25 63.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.276 -176.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 11' ' ' GLN . 77.8 mt -65.3 -47.85 85.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 172.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.453 HD23 HG23 ' B' ' 36' ' ' ILE . 89.1 mt -57.94 -41.6 83.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.737 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.89 86.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.265 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.65 -38.56 83.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.171 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 15' ' ' ILE . 99.8 t -64.28 -45.39 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.96 0.409 . . . . 0.0 110.106 176.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.67 71.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.102 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.06 -40.85 82.69 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.11 -47.6 92.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.198 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.9 -37.92 77.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.687 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.22 -51.86 22.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.762 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -63.4 -40.7 97.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.516 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -86.76 1.37 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.021 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.02 45.14 21.59 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 123.658 0.599 . . . . 0.0 111.678 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.61 123.63 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -65.51 155.54 85.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.4 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.434 ' HB3' ' HD3' ' B' ' 48' ' ' ARG . 53.6 Cg_exo -52.74 -46.73 31.5 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.71 2.273 . . . . 0.0 112.466 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.94 -45.85 93.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.98 0.419 . . . . 0.0 110.375 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.559 ' HA ' ' HE3' ' A' ' 35' ' ' MET . 65.6 tp -61.18 -38.78 87.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.478 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -58.88 -53.05 62.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.187 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.52 -31.43 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.976 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.559 ' HE3' ' HA ' ' A' ' 32' ' ' LEU . 24.3 ttm -55.69 -49.64 72.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.427 0.632 . . . . 0.0 110.171 173.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.7 mt -61.47 -38.09 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.183 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.41 82.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.016 0.436 . . . . 0.0 110.71 175.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.17 -36.2 89.72 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.259 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.56 -41.42 98.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.972 0.415 . . . . 0.0 110.0 177.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 36' ' ' ILE . 72.5 mt -60.62 -52.37 62.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.643 177.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.37 -51.16 67.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.391 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.3 m -57.56 -48.72 78.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.33 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -59.79 -41.06 90.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.152 0.501 . . . . 0.0 111.202 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 54.5 t -65.56 -42.6 93.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.284 176.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.856 HD13 HD13 ' B' ' 69' ' ' LEU . 96.1 mt -63.91 -17.15 62.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -84.7 -62.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.988 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -109.6 -41.42 4.57 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 14.1 mmt85 -82.7 10.82 6.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -168.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 57' ' ' ILE . 8.5 p -136.66 153.06 29.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.12 145.96 41.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.629 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -53.87 -42.19 68.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.996 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.2 t -76.62 -4.01 40.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.446 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' HB3' HG22 ' A' ' 49' ' ' VAL . 1.8 tp-100 -111.47 -10.53 14.17 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.268 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 65.7 mtt-85 -50.55 -65.14 0.61 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -171.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 tmtp? -71.2 -26.07 62.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.044 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.71 -46.69 57.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.01 0.433 . . . . 0.0 109.935 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 49' ' ' VAL . 13.4 tt -72.07 -26.82 25.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.161 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.52 -32.55 70.06 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.258 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.08 -43.69 91.36 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -54.72 -50.69 67.72 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.033 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -57.66 -54.4 47.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.056 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.542 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -63.26 -45.3 92.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.611 -176.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.07 -44.88 94.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.422 . . . . 0.0 110.385 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.9 85.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.449 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 tp -69.25 -38.31 78.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.555 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 31.3 mmt -64.07 -39.09 93.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.0 110.272 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t -74.88 -28.51 60.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.583 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.2 m -88.03 2.46 51.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.296 0.57 . . . . 0.0 110.561 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 66' ' ' MET . 7.6 mt . . . . . 0 N--CA 1.451 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.151 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 79.3 m . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.02 -42.92 69.66 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.738 -176.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 1.6 tp10 -55.53 -54.29 45.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.593 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -51.93 -55.77 18.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.597 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.9 t -58.24 -49.11 82.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.155 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -58.55 -47.27 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 65.4 mmtt -69.2 -44.16 72.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.779 -174.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.402 ' O ' HG23 ' B' ' 19' ' ' VAL . 78.4 mt -64.43 -39.37 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.928 -177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.11 -44.04 97.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.686 0.279 . . . . 0.0 110.574 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.67 96.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.483 ' O ' HG23 ' B' ' 22' ' ' VAL . 5.9 mm-40 -57.67 -53.25 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.095 177.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 15' ' ' ILE . 99.3 t -61.19 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.978 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.1 90.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.83 -41.42 97.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.414 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 18' ' ' GLU . 87.3 t -59.63 -40.89 83.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.949 0.404 . . . . 0.0 110.462 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.16 -38.31 87.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.21 -27.05 61.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -64.37 -24.99 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.138 0.494 . . . . 0.0 110.842 176.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -110.14 -3.52 16.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.481 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 51.69 50.98 17.59 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 123.7 0.625 . . . . 0.0 110.308 -174.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.99 138.24 56.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.483 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -73.94 158.0 86.42 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.304 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.485 ' O ' ' HB ' ' B' ' 33' ' ' THR . 51.5 Cg_exo -53.22 -50.82 12.65 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.143 2.562 . . . . 0.0 113.986 -175.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.92 -32.6 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.428 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.467 ' O ' HG12 ' B' ' 36' ' ' ILE . 47.1 tp -63.2 -39.13 93.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.053 0.454 . . . . 0.0 109.996 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' B' ' 30' ' ' PRO . 72.3 m -56.66 -48.9 76.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.739 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -69.97 -30.55 67.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.289 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.1 ttm -61.76 -41.87 98.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.163 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 32' ' ' LEU . 40.3 mm -58.62 -47.95 87.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.796 175.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.49 90.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.092 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.17 -44.05 96.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 121.173 -0.536 . . . . 0.0 112.608 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -60.9 -41.77 96.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.332 0.111 . . . . 0.0 110.839 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 36' ' ' ILE . 88.8 mt -54.19 -56.38 9.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.309 176.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.12 -48.52 78.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.779 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 56.5 m -57.15 -41.33 78.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.937 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -73.75 -41.02 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.035 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.01 -40.2 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 110.385 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 90.0 mt -66.1 -38.04 87.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.468 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.433 ' HB3' ' HG3' ' B' ' 47' ' ' GLN . 2.1 m-80 -69.59 -57.81 4.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.468 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.433 ' HG3' ' HB3' ' B' ' 46' ' ' ASN . 53.9 mt-30 -124.83 76.29 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.259 -171.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 30' ' ' PRO . 13.6 mtt85 173.81 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.19 0.931 . . . . 0.0 110.856 173.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.518 HG21 HG21 ' B' ' 57' ' ' ILE . 7.1 p -80.66 156.6 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.899 0.38 . . . . 0.0 110.579 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 146.33 50.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.27 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.11 77.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.113 0.482 . . . . 0.0 110.801 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.0 m -67.7 -28.69 67.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.469 ' HB3' HG22 ' B' ' 49' ' ' VAL . 23.8 tt0 -96.52 -6.11 37.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.205 -175.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.457 ' HG2' HD22 ' A' ' 69' ' ' LEU . 21.5 ttm180 -60.39 -60.37 3.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.88 -169.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -75.35 -27.17 59.09 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.601 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.54 -45.79 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.239 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.518 HG21 HG21 ' B' ' 49' ' ' VAL . 11.1 tt -72.71 -27.4 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.69 70.32 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.343 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.25 -50.04 75.22 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.763 176.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -53.26 -48.7 68.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.543 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.82 -50.04 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.312 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -61.13 -47.17 87.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.305 -177.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -65.51 -38.98 91.28 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.2 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.99 0.424 . . . . 0.0 110.327 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.41 -43.0 99.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.216 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 26.3 mmt -70.71 -19.21 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -79.03 -38.8 35.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.18 176.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -84.19 -14.63 49.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.465 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.856 HD13 HD13 ' A' ' 45' ' ' LEU . 54.6 tp . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.893 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 C--O 1.236 0.385 0 CA-C-O 121.297 0.57 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 11' ' ' GLN . 1.4 t -92.65 141.53 28.37 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.782 173.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.7 -27.28 69.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.274 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.0 -53.66 54.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.433 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' H ' HG23 ' A' ' 8' ' ' THR . 51.2 tt0 -58.18 -49.47 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.528 -177.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 58.9 t -60.66 -51.04 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.016 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.06 -43.86 98.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 5.3 mptp? -66.37 -39.27 89.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.39 -176.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.9 mt -71.76 -39.54 68.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.594 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 86.3 mt -58.81 -43.73 90.62 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -58.46 -42.43 87.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.741 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.1 mm-40 -57.85 -53.19 60.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 59.0 t -60.29 -45.11 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.89 84.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.228 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 48.7 mt -68.48 -35.76 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.928 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 18' ' ' GLU . 87.6 t -63.14 -42.62 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.267 0.556 . . . . 0.0 109.833 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 67.3 mt -65.57 -42.98 91.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.371 177.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.84 -48.32 74.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.542 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -65.1 -23.2 67.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.837 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -102.56 5.16 39.16 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.239 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.37 43.88 28.16 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.505 0.503 . . . . 0.0 111.554 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.42 124.52 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.427 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 55.8 m -75.63 164.38 61.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.515 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.612 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 75.0 Cg_exo -50.71 -50.6 13.25 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.275 2.65 . . . . 0.0 113.553 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -58.27 -46.78 85.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.819 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.458 HD11 HG22 ' B' ' 12' ' ' VAL . 61.4 tp -61.17 -47.75 84.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.448 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 23' ' ' LEU . 62.8 m -54.84 -49.98 69.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.265 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' B' ' 61' ' ' PHE . 7.4 tt -70.55 -33.08 70.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.572 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.9 ttp -68.17 -33.04 73.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.158 0.504 . . . . 0.0 110.132 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 40' ' ' ILE . 39.0 mt -61.83 -41.77 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.418 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.19 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.441 ' CA ' ' HE1' ' B' ' 61' ' ' PHE . . . -63.35 -42.0 99.28 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.042 176.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -61.01 -41.51 96.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.587 0.232 . . . . 0.0 110.483 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 36' ' ' ILE . 82.7 mt -57.72 -58.98 3.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.56 -46.2 77.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.59 -178.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -58.95 -51.16 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.54 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -63.35 -32.06 73.38 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.709 0.29 . . . . 0.0 111.454 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.601 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 88.3 t -69.24 -46.55 77.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.611 HD13 ' HG ' ' B' ' 69' ' ' LEU . 96.0 mt -59.15 -32.03 69.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 177.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -67.95 -67.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.403 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -134.06 23.69 3.87 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -166.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.601 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 38.8 mtp85 -142.72 29.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.897 0.379 . . . . 0.0 111.272 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 45' ' ' LEU . 4.1 p -151.05 158.35 4.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.685 177.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -75.17 140.6 43.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.538 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.03 -42.82 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.315 0.384 . . . . 0.0 111.208 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 m -70.61 -23.5 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.569 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 7.8 tp60 -87.52 -24.25 24.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.937 -177.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 93.6 mtt180 -46.12 -53.34 10.54 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -172.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -72.74 -40.63 65.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.365 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 56' ' ' LEU . 4.2 mt -63.39 -47.19 83.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.717 0.294 . . . . 0.0 111.391 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 16.1 tt -70.26 -28.26 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 -175.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -46.29 58.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.648 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.65 -44.64 93.22 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -55.31 -46.25 76.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.467 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' HB2' HD21 ' B' ' 34' ' ' LEU . 85.0 t80 -59.3 -53.3 59.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.886 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -61.01 -43.7 98.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.247 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.14 -48.08 83.22 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.02 85.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.781 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -67.47 -38.93 85.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.605 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.8 mmt -75.15 -32.03 61.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.707 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.2 p -79.28 -9.97 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.105 0.479 . . . . 0.0 110.441 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.6 m -110.99 7.91 21.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.196 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 tp . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.918 178.72 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -55.84 -42.51 75.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.914 -173.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.16 -37.56 80.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.655 0.264 . . . . 0.0 110.753 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.531 ' O ' HG13 ' B' ' 15' ' ' ILE . 28.5 tt0 -63.75 -50.08 70.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.922 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 32' ' ' LEU . 52.7 t -58.42 -45.6 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.265 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -54.86 -44.28 73.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.215 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.3 -39.19 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.505 -177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 11' ' ' GLN . 64.4 mt -62.51 -46.07 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.93 -40.05 87.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.43 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.87 -49.59 77.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.035 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.2 mt-10 -66.05 -47.15 75.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.233 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 74.8 t -59.68 -46.84 92.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.678 0.275 . . . . 0.0 110.854 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.82 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.822 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 tp -68.06 -40.58 82.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.199 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 18' ' ' GLU . 78.5 t -59.31 -41.05 82.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.039 0.447 . . . . 0.0 110.257 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.572 HD13 HG23 ' B' ' 33' ' ' THR . 64.0 mt -61.01 -47.99 83.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.116 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -65.15 -49.71 68.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.745 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.14 -36.92 68.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.77 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -92.88 2.17 56.91 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.26 49.32 15.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.19 0.519 . . . . 0.0 111.064 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.99 125.53 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.851 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.0 p -71.42 157.87 89.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.428 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.55 -41.4 60.82 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.956 2.437 . . . . 0.0 112.162 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 4.9 mp0 -56.91 -50.59 72.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.171 177.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.405 ' O ' HG13 ' B' ' 36' ' ' ILE . 59.2 tp -66.41 -47.55 72.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.457 -177.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.572 HG23 HD13 ' B' ' 23' ' ' LEU . 87.0 m -52.47 -51.86 57.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.674 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 61' ' ' PHE . 4.3 tt -72.41 -31.3 65.4 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.82 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.7 ttp -71.16 -34.05 70.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 32' ' ' LEU . 49.4 mt -60.8 -44.23 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.236 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.41 76.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.088 0.471 . . . . 0.0 110.54 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.71 93.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.369 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -66.01 -41.49 90.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.536 ' O ' HG23 ' B' ' 44' ' ' VAL . 1.5 mp -56.36 -51.1 68.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.15 174.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.587 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.09 -43.89 91.87 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.586 0.231 . . . . 0.0 110.752 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.2 m -60.74 -44.64 96.43 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.171 0.51 . . . . 0.0 110.848 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -66.13 -35.14 79.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.125 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.727 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 72.8 t -65.47 -45.63 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.99 174.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 90.0 mt -61.83 -21.47 64.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -96.78 -55.45 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.409 ' O ' ' HD2' ' B' ' 48' ' ' ARG . 74.5 mt-30 -110.11 10.47 23.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.723 0.297 . . . . 0.0 111.785 -166.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.727 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 7.6 mpt_? -129.23 -51.03 1.2 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.956 0.408 . . . . 0.0 111.662 -174.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.685 HG22 ' HB3' ' B' ' 53' ' ' GLN . 4.2 p -86.48 158.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.335 -172.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.05 155.14 27.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.404 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.86 88.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.776 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.4 m -74.7 -11.68 60.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.185 0.517 . . . . 0.0 111.08 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.685 ' HB3' HG22 ' B' ' 49' ' ' VAL . 6.0 tp-100 -99.81 -4.29 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.193 -177.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -55.0 -62.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.612 -170.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 10.3 tmtt? -78.86 -31.52 45.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.116 -172.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.16 -50.01 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.551 HG21 HG21 ' B' ' 49' ' ' VAL . 12.8 tt -67.44 -33.41 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 -177.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.76 -43.4 79.93 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.383 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.72 -48.45 80.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.07 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -56.73 -39.4 73.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.457 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.483 ' HB2' HD21 ' A' ' 34' ' ' LEU . 48.5 t80 -69.23 -53.37 20.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.877 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.38 -43.38 92.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.397 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -64.21 -40.34 95.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.654 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.9 87.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.423 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.03 -40.29 94.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.29 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' B' ' 66' ' ' MET . 28.4 mmt -63.12 -40.52 97.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.984 0.421 . . . . 0.0 110.432 176.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.4 t -71.03 -19.43 62.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.085 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 29.0 m -99.59 -2.92 34.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.023 0.44 . . . . 0.0 111.035 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.611 ' HG ' HD13 ' A' ' 45' ' ' LEU . 2.8 tt . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.444 ' HB3' ' OE1' ' A' ' 11' ' ' GLN . 82.5 m-85 . . . . . 0 C--O 1.233 0.202 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.443 ' OG1' ' HB2' ' A' ' 11' ' ' GLN . 49.7 p -77.18 143.05 39.33 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.747 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -60.35 -36.03 77.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.377 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.59 -42.15 98.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.047 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.444 ' OE1' ' HB3' ' A' ' 7' ' ' TYR . 52.9 tt0 -57.99 -52.56 65.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.337 0.589 . . . . 0.0 110.21 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.41 -42.98 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.365 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.05 -45.0 71.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.245 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.17 -42.63 75.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.068 -177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 19' ' ' VAL . 50.5 mt -67.37 -44.27 87.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.107 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.568 HD23 HG23 ' B' ' 36' ' ' ILE . 47.1 mt -57.86 -43.72 86.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 176.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.48 83.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.182 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -72.41 -36.22 68.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.575 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' ILE . 88.4 t -64.18 -46.22 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.029 0.442 . . . . 0.0 110.265 176.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.21 77.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.542 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.583 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 8.0 tt -61.44 -40.31 94.0 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.004 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.744 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 75.9 t -61.55 -48.43 88.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.108 0.48 . . . . 0.0 110.467 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD13 HG23 ' A' ' 33' ' ' THR . 62.6 mt -63.7 -33.83 76.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.533 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.83 -48.34 71.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.119 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.744 ' HE2' ' HA ' ' A' ' 22' ' ' VAL . 45.6 mtmt -56.69 -37.02 70.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.912 0.387 . . . . 0.0 111.52 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 89.0 m-70 -93.33 -3.24 53.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.404 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.09 46.96 22.98 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.533 0.521 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.12 130.66 44.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.721 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 24.9 m -79.13 159.88 72.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.074 176.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 1.3 Cg_endo -45.75 -47.38 13.86 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.627 2.885 . . . . 0.0 114.276 -176.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.9 -41.36 99.4 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.951 0.405 . . . . 0.0 110.324 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.559 ' O ' HG12 ' A' ' 36' ' ' ILE . 37.3 tp -69.32 -29.12 66.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.478 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.507 HG23 HD13 ' A' ' 23' ' ' LEU . 17.6 m -64.08 -47.44 80.09 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.025 0.44 . . . . 0.0 110.255 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' B' ' 61' ' ' PHE . 6.6 mp -76.77 -20.72 56.14 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.913 177.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.465 ' HB3' ' O ' ' A' ' 32' ' ' LEU . 41.5 tpp -57.85 -48.67 79.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.64 ' O ' HG12 ' A' ' 40' ' ' ILE . 38.1 mm -63.04 -53.66 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.514 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.48 -45.4 91.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.772 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.41 -47.69 74.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.521 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -62.91 -33.56 75.57 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.519 0.199 . . . . 0.0 110.951 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.64 HG12 ' O ' ' A' ' 36' ' ' ILE . 49.1 mm -58.99 -54.24 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.75 89.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.101 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -58.82 -47.28 85.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.815 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.5 -34.35 76.7 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.612 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.75 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 90.7 t -64.17 -46.66 92.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 174.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.482 ' O ' ' HD3' ' A' ' 54' ' ' ARG . 94.5 mt -65.27 -23.57 67.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.402 . . . . 0.0 111.064 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -78.96 -51.05 10.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.851 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -134.19 -10.33 2.58 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -170.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.75 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 48.3 mtt180 -111.22 19.53 18.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.918 -0.489 . . . . 0.0 112.148 -171.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 50' ' ' ALA . 5.1 p -148.54 175.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.867 -176.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.662 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.79 148.13 23.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.883 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.35 -60.01 3.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.414 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.2 m -69.23 -19.5 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 111.274 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.749 ' HG3' HG12 ' A' ' 57' ' ' ILE . 4.6 tp-100 -88.07 -18.15 29.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -175.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 10.8 mtm-85 -51.09 -51.18 55.91 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -173.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -61.36 -45.41 94.51 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.193 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 tt -68.82 -36.06 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.08 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.749 HG12 ' HG3' ' A' ' 53' ' ' GLN . 12.6 mm -62.36 -46.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.827 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.78 88.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.653 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -61.47 -50.35 73.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.97 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.84 -35.84 81.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.398 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.468 ' HB2' HD21 ' B' ' 34' ' ' LEU . 62.4 t80 -66.91 -51.31 56.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.765 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.52 92.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.108 0.48 . . . . 0.0 110.844 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -66.63 -36.37 82.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.075 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.3 89.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.45 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.2 -48.33 82.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.123 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.9 mmt -72.68 -30.04 63.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.17 -176.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 m -80.02 -33.23 39.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.95 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.4 m -93.73 10.15 34.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.933 0.397 . . . . 0.0 110.479 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.9 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.597 -178.514 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -57.98 -38.59 76.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.723 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' B' ' 14' ' ' LYS . 41.6 mt-10 -54.85 -56.2 22.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.176 0.512 . . . . 0.0 110.671 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.492 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.6 tp-100 -58.35 -47.41 83.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.72 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.93 -47.61 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.442 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.14 -47.23 83.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.972 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 10' ' ' GLU . 4.9 mptp? -69.63 -33.75 73.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.513 -175.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 11' ' ' GLN . 69.7 mt -68.88 -46.86 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.291 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.553 HD23 HG23 ' A' ' 36' ' ' ILE . 75.7 mt -57.03 -40.94 77.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.525 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.27 87.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.297 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.466 ' O ' HG23 ' B' ' 22' ' ' VAL . 24.7 mt-10 -72.65 -39.45 67.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.531 -178.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.636 HG21 HG21 ' A' ' 36' ' ' ILE . 98.2 t -62.81 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.184 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.43 -33.37 75.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.44 -40.11 95.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.267 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.1 t -63.21 -42.89 98.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.157 0.503 . . . . 0.0 110.204 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.484 HD13 HG23 ' B' ' 33' ' ' THR . 68.4 mt -62.92 -45.36 92.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.196 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.73 -40.68 97.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.637 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -65.05 -21.0 66.76 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.571 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -109.15 -0.11 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.424 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.82 49.52 20.08 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.809 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.62 126.51 29.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.77 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 72.9 p -75.68 161.07 77.58 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.081 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -44.83 -48.52 10.58 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.446 2.764 . . . . 0.0 113.76 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.555 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 1.9 mp0 -56.94 -50.53 72.31 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.231 0.538 . . . . 0.0 110.078 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.24 -44.39 88.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.112 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.484 HG23 HD13 ' B' ' 23' ' ' LEU . 99.1 m -53.02 -53.88 43.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.487 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 61' ' ' PHE . 8.1 tt -71.01 -36.41 72.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.936 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 29.2 ttp -64.58 -41.8 96.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.682 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 16' ' ' LEU . 52.2 mt -57.83 -44.84 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 177.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.5 -31.83 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.623 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.92 -43.86 92.93 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.017 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -60.51 -40.32 90.98 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.552 HG12 ' O ' ' B' ' 36' ' ' ILE . 42.5 mm -57.95 -59.29 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.673 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.07 -48.89 79.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.254 -177.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 50.5 m -59.71 -46.81 87.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.379 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 59.3 t30 -60.41 -41.38 93.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.053 0.454 . . . . 0.0 110.638 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.613 HG13 ' HB2' ' B' ' 48' ' ' ARG . 45.3 t -65.89 -40.96 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.606 176.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 93.5 mt -60.32 -22.16 62.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.481 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -85.24 -52.37 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.487 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 3.4 pp0? -125.15 -8.04 7.09 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -166.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.613 ' HB2' HG13 ' B' ' 44' ' ' VAL . 4.4 mmp_? -110.53 -43.47 3.86 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.447 -176.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.59 HG21 HG21 ' B' ' 57' ' ' ILE . 9.6 p -71.27 157.78 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.607 0.241 . . . . 0.0 110.461 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.53 139.51 58.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 111.012 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.537 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . . . -61.21 -30.6 70.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.79 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.4 t -90.3 5.37 47.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.719 0.295 . . . . 0.0 110.957 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -124.57 6.08 8.25 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.041 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.537 ' NE ' ' HA ' ' B' ' 51' ' ' ALA . 21.3 mmt180 -55.32 -69.21 0.14 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.19 0.519 . . . . 0.0 111.978 -172.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -69.53 -32.96 72.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.748 -172.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.19 -46.29 84.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.263 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.59 HG21 HG21 ' B' ' 49' ' ' VAL . 11.7 tt -71.98 -29.68 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.535 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -34.46 77.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 110.055 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.51 -45.35 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.555 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.429 ' HA ' ' HB3' ' B' ' 63' ' ' GLN . 22.3 mtpp -68.26 -31.86 71.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.355 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.466 ' CD1' HD23 ' A' ' 34' ' ' LEU . 88.5 t80 -64.86 -49.37 70.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.995 0.426 . . . . 0.0 110.138 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -63.96 -38.99 93.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.94 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLN . . . . . 0.429 ' HB3' ' HA ' ' B' ' 60' ' ' LYS . 29.5 tt0 -53.09 -48.3 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.461 173.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.36 -45.12 76.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 0.0 110.799 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.91 -47.3 81.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.525 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 21.4 mmt -69.05 -30.81 69.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.124 0.488 . . . . 0.0 110.804 -178.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 63.3 m -78.99 -18.46 53.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.049 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.9 p -107.33 6.46 28.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.44 . . . . 0.0 110.491 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 tp . . . . . 0 C--O 1.234 0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.965 178.064 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 92.7 m-85 . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 111.824 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -85.82 123.96 31.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.969 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.4 -46.49 66.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.237 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.8 mm-40 -59.02 -55.23 37.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.642 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.536 ' O ' HG13 ' A' ' 15' ' ' ILE . 49.6 mt-30 -55.36 -51.21 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.06 0.225 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 8' ' ' THR . 58.1 t -57.47 -52.09 61.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.058 0.456 . . . . 0.0 111.463 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -67.66 -39.15 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.773 -174.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.51 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 17.3 mmtp -77.21 -23.69 51.4 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.936 -176.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 11' ' ' GLN . 66.2 mt -64.58 -46.81 91.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 169.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.449 HD23 HG23 ' B' ' 36' ' ' ILE . 91.3 mt -58.63 -38.09 77.31 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.552 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.75 -49.32 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.27 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.3 mt-10 -64.57 -42.68 95.5 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.997 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.471 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 94.3 t -59.8 -47.72 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 0.0 110.731 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.22 75.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.22 -41.98 96.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.061 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 18' ' ' GLU . 58.3 t -64.05 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.192 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 75.9 mt -63.96 -46.07 86.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.501 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.85 -48.45 81.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.698 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -56.89 -41.31 77.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.557 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -91.74 2.57 56.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.297 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.47 47.09 23.58 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.631 0.582 . . . . 0.0 111.089 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 125.88 26.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.82 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 m -64.36 159.98 54.31 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.511 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.529 ' O ' ' HB ' ' A' ' 33' ' ' THR . 67.0 Cg_exo -51.91 -56.72 2.67 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.965 2.444 . . . . 0.0 114.001 -176.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.88 -34.46 77.85 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.66 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' O ' ' HG3' ' A' ' 35' ' ' MET . 48.5 tp -60.21 -40.0 88.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.148 0.499 . . . . 0.0 109.957 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 49.0 m -58.52 -47.04 85.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.808 174.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' B' ' 61' ' ' PHE . 7.1 tt -74.55 -36.98 63.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.47 -174.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.566 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 5.2 ppp? -66.22 -32.38 73.78 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 40' ' ' ILE . 27.4 mt -65.38 -41.82 92.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.428 175.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.9 81.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.972 0.415 . . . . 0.0 110.117 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.77 -44.02 96.87 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.94 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -58.34 -40.88 83.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.794 0.331 . . . . 0.0 110.521 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 44' ' ' VAL . 77.5 mt -59.33 -54.1 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.479 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.07 -39.61 82.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.914 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.9 m -57.68 -48.28 79.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -62.62 -43.95 97.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.809 0.338 . . . . 0.0 110.102 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.537 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 59.7 t -59.25 -48.94 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.718 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 96.7 mt -67.21 -19.6 65.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.91 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -99.27 -42.05 7.19 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -117.75 -13.23 10.17 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -172.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.537 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 9.2 mmm180 -119.37 13.15 12.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -171.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.564 HG21 HG21 ' A' ' 57' ' ' ILE . 5.4 p -138.74 161.89 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.558 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -74.72 139.71 43.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -44.4 69.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.755 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 m -64.65 -25.19 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.302 0.572 . . . . 0.0 111.206 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -102.86 1.33 33.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.537 -173.449 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.596 ' HG2' HD11 ' B' ' 69' ' ' LEU . 43.8 ttm-85 -60.61 -66.85 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.087 -168.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -77.18 -22.76 51.96 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.471 -176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.78 -53.91 47.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 49' ' ' VAL . 11.7 tt -68.39 -28.84 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.464 -176.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.08 -44.27 72.85 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.628 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.49 -42.41 87.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.645 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -57.81 -39.39 77.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.701 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.543 ' HE2' ' HE1' ' B' ' 61' ' ' PHE . 40.1 t80 -66.39 -47.64 72.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.145 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.82 -40.35 79.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.242 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -60.71 -44.15 96.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.062 0.458 . . . . 0.0 110.576 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.26 89.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.88 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -67.34 -30.64 70.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.121 0.486 . . . . 0.0 110.598 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -30.37 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.793 177.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 p -82.82 -18.85 39.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.787 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.7 p -93.03 -4.81 51.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.292 0.568 . . . . 0.0 110.461 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.223 177.254 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 121.465 0.65 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.5 -34.97 78.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.34 0.591 . . . . 0.0 109.614 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -62.22 -51.52 67.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.721 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.567 ' O ' HG13 ' B' ' 15' ' ' ILE . 63.9 tt0 -58.28 -48.89 79.03 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.692 0.282 . . . . 0.0 110.558 -178.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.424 HG22 HD11 ' A' ' 32' ' ' LEU . 86.5 t -59.44 -48.35 87.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.56 -47.65 69.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.944 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.65 -41.85 92.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.365 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 11' ' ' GLN . 70.4 mt -62.12 -48.55 87.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.717 0.294 . . . . 0.0 110.423 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.454 HD23 HG23 ' A' ' 36' ' ' ILE . 90.7 mt -56.69 -43.94 81.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -58.93 -44.34 91.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.288 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.56 -42.03 78.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.806 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.427 HG13 HG22 ' A' ' 19' ' ' VAL . 89.7 t -63.48 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.951 0.405 . . . . 0.0 110.777 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.17 94.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 81.9 mt -66.65 -28.86 68.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.6 -50.6 79.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.208 0.527 . . . . 0.0 109.939 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.635 HD13 HG23 ' B' ' 33' ' ' THR . 50.7 mt -63.27 -44.78 94.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.185 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -59.94 -45.34 92.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.937 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -61.37 -36.71 80.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.617 -176.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -88.26 1.14 55.16 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.203 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.41 45.63 16.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.297 0.57 . . . . 0.0 110.507 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.89 130.37 42.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.434 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -68.38 157.91 86.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.401 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.56 -50.4 13.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.73 2.287 . . . . 0.0 112.612 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.429 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 1.7 mp0 -58.52 -46.43 86.76 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.881 0.372 . . . . 0.0 110.205 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.57 ' O ' HG12 ' B' ' 36' ' ' ILE . 44.9 tp -58.7 -44.33 90.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.685 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.635 HG23 HD13 ' B' ' 23' ' ' LEU . 46.5 m -57.07 -51.63 68.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.665 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.425 ' HB2' HG11 ' A' ' 44' ' ' VAL . 6.6 tt -69.5 -28.79 66.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 -177.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 33.7 ttp -72.01 -31.11 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.223 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.57 HG12 ' O ' ' B' ' 32' ' ' LEU . 30.1 mm -59.05 -45.66 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 172.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.52 -41.25 85.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.561 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.21 -40.03 97.63 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.283 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -61.16 -42.61 98.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.49 ' O ' HG23 ' B' ' 44' ' ' VAL . 70.0 mt -59.59 -54.47 34.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.423 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -56.71 -44.37 81.49 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.34 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.1 m -62.78 -42.2 99.59 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.707 0.289 . . . . 0.0 110.811 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -58.91 -41.88 88.32 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 110.221 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.505 HG13 ' HB2' ' B' ' 48' ' ' ARG . 59.4 t -64.09 -44.75 97.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.152 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 97.9 mt -66.17 -17.33 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.428 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -85.98 -56.54 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.469 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -114.72 -32.35 5.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -170.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.505 ' HB2' HG13 ' B' ' 44' ' ' VAL . 45.4 mtt-85 -102.74 23.51 11.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -164.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.563 HG21 HG21 ' B' ' 57' ' ' ILE . 6.0 p -147.06 150.7 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.417 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.12 145.76 47.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.208 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.27 89.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.858 0.361 . . . . 0.0 110.986 175.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 21.8 m -72.54 -14.31 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -101.84 -8.42 21.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.276 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.459 ' HE ' HG13 ' B' ' 49' ' ' VAL . 16.9 ttm180 -64.01 -52.94 57.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.409 -166.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -76.76 -29.33 56.07 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.143 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 67.4 mt -64.35 -49.58 71.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.045 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.563 HG21 HG21 ' B' ' 49' ' ' VAL . 10.2 tt -69.17 -28.23 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.264 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.42 74.94 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.222 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.66 -47.25 73.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.806 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 57.7 mtpt -51.86 -48.21 64.11 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.289 174.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.543 ' HE1' ' HE2' ' A' ' 61' ' ' PHE . 60.9 t80 -54.03 -58.22 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.779 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.08 -46.97 82.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.944 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.86 -45.02 75.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.471 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.89 85.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.227 0.537 . . . . 0.0 110.416 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.8 -48.87 79.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.851 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.477 ' HA ' ' HB2' ' B' ' 69' ' ' LEU . 65.1 mtt -83.76 -11.6 56.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.62 -175.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -81.1 -26.68 36.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 172.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.2 m -98.47 9.18 43.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.166 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 54' ' ' ARG . 33.8 tp . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.462 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 . . . . . 0 C--O 1.234 0.263 0 CA-C-O 122.016 0.912 . . . . 0.0 113.037 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.551 ' HB ' ' CB ' ' A' ' 11' ' ' GLN . 24.7 m -77.38 116.99 18.43 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.748 -1.114 . . . . 0.0 108.988 173.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -68.27 -33.39 74.26 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.236 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.6 mp0 -65.01 -42.92 93.99 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 174.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.551 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 6.0 tp60 -57.02 -50.2 73.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.373 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.83 -43.11 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.596 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.79 -43.57 97.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 64.4 mmtt -67.43 -36.58 81.52 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 11' ' ' GLN . 89.1 mt -62.86 -52.98 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.044 175.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.95 -40.61 80.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.84 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.48 -50.04 75.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.392 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 22' ' ' VAL . 45.3 mt-10 -62.59 -44.1 97.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.701 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.424 HG13 HG22 ' B' ' 19' ' ' VAL . 71.5 t -60.49 -46.59 95.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.87 0.367 . . . . 0.0 110.779 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.61 80.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.678 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.23 -35.67 80.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.577 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 18' ' ' GLU . 89.9 t -61.62 -41.11 89.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.302 0.573 . . . . 0.0 109.575 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.604 HD13 HG23 ' A' ' 33' ' ' THR . 71.2 mt -66.35 -43.88 84.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.263 178.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.87 -47.51 83.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.974 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -52.15 -41.8 62.85 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.092 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.49 8.73 44.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -175.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.61 42.53 26.96 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.128 0.49 . . . . 0.0 111.331 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -68.95 115.51 8.34 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.679 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 m -63.4 157.89 61.42 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.465 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.522 ' HG3' ' HD3' ' B' ' 48' ' ' ARG . 73.3 Cg_exo -49.23 -43.52 36.93 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.09 2.526 . . . . 0.0 112.299 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.05 -53.04 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.403 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' HG12 ' A' ' 36' ' ' ILE . 50.2 tp -63.41 -33.25 75.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.769 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.604 HG23 HD13 ' A' ' 23' ' ' LEU . 62.7 m -61.86 -47.32 85.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -29.16 65.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.183 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.7 ttm -60.26 -42.24 94.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.885 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 32' ' ' LEU . 40.2 mm -58.74 -49.48 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.919 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.16 84.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.123 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.9 -43.05 95.01 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.548 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -62.05 -43.2 99.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.579 0.228 . . . . 0.0 110.745 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . 86.3 mt -58.35 -56.22 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.58 -45.17 81.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.216 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -60.9 -44.97 96.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.261 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.89 -35.42 79.97 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.626 0.251 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 40' ' ' ILE . 90.1 t -65.15 -45.39 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 174.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.521 HD13 HD13 ' B' ' 69' ' ' LEU . 86.9 mt -62.87 -25.94 68.53 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.435 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -84.87 -55.81 3.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.957 0.408 . . . . 0.0 111.561 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -93.63 -59.44 2.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -169.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -87.61 -28.41 21.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -162.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG21 HG21 ' A' ' 57' ' ' ILE . 3.8 p -79.27 159.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.046 0.45 . . . . 0.0 111.509 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.66 135.92 50.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.741 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.559 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -51.69 -43.77 62.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.0 t -87.67 3.27 48.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.569 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 55.0 tp60 -108.16 -12.04 15.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.468 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.559 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 51.1 mtt-85 -50.45 -54.54 21.25 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.911 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HE3' ' SD ' ' B' ' 66' ' ' MET . 22.1 tptm -71.94 -44.3 63.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.593 0.235 . . . . 0.0 110.866 -176.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.419 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 33.9 mt -59.85 -47.18 86.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.629 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 14.6 tt -71.57 -30.19 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.696 -175.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.14 77.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.011 0.434 . . . . 0.0 110.1 174.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -44.23 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.466 174.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 56' ' ' LEU . 2.5 mtmm -68.36 -35.95 78.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.133 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -58.7 -50.07 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.364 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.55 -42.28 96.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.93 -51.58 66.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.444 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.47 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 26.1 tp -63.58 -48.41 77.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.238 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.496 ' HA ' HD12 ' A' ' 69' ' ' LEU . 24.2 mmt -65.3 -40.66 94.1 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.064 0.459 . . . . 0.0 110.416 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.1 m -69.08 -17.25 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.811 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.0 m -102.18 2.3 37.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.079 0.466 . . . . 0.0 110.55 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 23.5 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.775 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -49.63 -49.06 48.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.54 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 6.2 tt0 -60.33 -47.03 87.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -57.42 -48.36 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.962 0.41 . . . . 0.0 110.669 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.06 -41.27 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.538 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.43 -43.77 88.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 33.3 mmtp -56.75 -47.52 79.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.242 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.415 ' O ' HG23 ' B' ' 19' ' ' VAL . 65.7 mt -66.73 -51.0 60.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.92 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.4 mt -58.27 -39.82 80.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.076 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.39 82.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.01 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.489 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.0 mt-10 -66.0 -41.59 90.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.089 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.424 HG22 HG13 ' A' ' 19' ' ' VAL . 72.5 t -60.72 -47.77 91.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.734 0.302 . . . . 0.0 110.869 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.63 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.76 -39.85 95.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.281 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 18' ' ' GLU . 86.4 t -63.28 -44.54 99.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.957 0.408 . . . . 0.0 110.068 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.495 HD13 HG23 ' B' ' 33' ' ' THR . 68.0 mt -62.79 -46.0 90.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.732 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.82 -40.14 91.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -66.33 -20.8 66.19 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.249 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -107.89 7.88 28.3 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.004 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.61 42.24 17.56 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.53 0.519 . . . . 0.0 111.437 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.533 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -68.31 120.75 14.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.525 -178.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 50.7 m -77.6 165.87 48.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.035 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 88.7 Cg_exo -48.0 -48.0 17.56 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.329 2.686 . . . . 0.0 114.056 -177.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.469 ' OE1' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -67.32 -43.67 81.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.465 -177.286 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' B' ' 28' ' ' ALA . 64.6 tp -61.23 -39.5 90.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.793 0.33 . . . . 0.0 110.471 175.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.495 HG23 HD13 ' B' ' 23' ' ' LEU . 95.1 m -56.54 -51.55 68.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.932 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.81 -31.36 66.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.2 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 31.6 ttp -66.26 -36.19 82.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.4 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 32' ' ' LEU . 20.4 mm -59.06 -48.01 88.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 173.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.84 76.48 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.114 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.08 78.18 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.352 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.56 -38.48 84.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.645 0.259 . . . . 0.0 110.755 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 36' ' ' ILE . 84.4 mt -57.8 -57.32 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.401 177.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.94 -44.99 87.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.148 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -55.49 -56.16 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 111.291 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.8 -34.55 78.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.899 -175.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.444 HG21 ' CG2' ' A' ' 33' ' ' THR . 93.4 t -71.26 -41.05 74.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.936 0.398 . . . . 0.0 110.874 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 96.2 mt -68.65 -26.39 65.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.766 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -81.65 -46.1 14.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.474 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -123.69 27.92 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -166.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.522 ' HD3' ' HG3' ' A' ' 30' ' ' PRO . 57.4 mtt180 -145.34 -48.33 0.23 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 176.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.626 HG21 HG21 ' B' ' 57' ' ' ILE . 7.2 p -77.96 154.15 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.314 -173.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.96 11.27 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.464 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.1 78.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.396 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 26.6 t -78.9 -18.29 54.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.609 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.434 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 51.4 tp60 -88.2 -18.12 29.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.175 0.512 . . . . 0.0 109.952 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -53.82 -63.97 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.032 -0.986 . . . . 0.0 112.56 -168.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.484 ' HE3' ' HB3' ' B' ' 55' ' ' LYS . 11.2 mtpp -71.03 -33.71 70.58 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.729 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 56' ' ' LEU . 54.3 mt -63.77 -52.43 60.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.631 0.253 . . . . 0.0 110.99 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.626 HG21 HG21 ' B' ' 49' ' ' VAL . 13.0 tt -66.92 -29.09 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.196 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.24 82.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.03 -30.35 44.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.023 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -58.27 -46.78 85.39 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 0.0 110.094 169.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -57.54 -44.55 85.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.936 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -61.35 -43.51 98.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -41.55 98.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.029 0.442 . . . . 0.0 109.966 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.09 90.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.448 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.31 -33.34 73.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.682 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 21.2 mmt -69.64 -29.18 66.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.212 0.53 . . . . 0.0 109.909 176.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -84.66 -32.67 23.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.419 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 53.1 p -76.1 -24.74 55.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.135 0.493 . . . . 0.0 110.196 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.521 HD13 HD13 ' A' ' 45' ' ' LEU . 57.5 tp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.53 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.943 0.402 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -71.65 98.43 1.91 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -58.69 -23.42 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.056 -172.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.476 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 6.8 tp10 -61.86 -55.08 33.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.221 0.534 . . . . 0.0 109.773 174.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.1 tp-100 -59.49 -46.55 88.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.556 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.2 t -59.88 -46.1 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.166 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.98 -46.61 84.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.849 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 12.9 mptt -63.31 -40.35 97.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.007 -177.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 74.6 mt -64.11 -51.95 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.596 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.15 -41.64 93.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.11 93.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.343 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 22' ' ' VAL . 40.0 mt-10 -69.95 -39.35 76.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.593 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.6 t -61.85 -46.84 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.796 0.332 . . . . 0.0 110.366 177.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.56 84.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.94 -42.96 99.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.164 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 18' ' ' GLU . 77.6 t -61.36 -40.97 88.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.325 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 79.0 mt -58.72 -50.22 74.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.246 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -66.29 -42.59 88.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -62.05 -33.14 73.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.55 -176.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -103.28 11.13 37.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.366 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.63 37.36 27.42 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.438 0.461 . . . . 0.0 111.819 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.14 119.3 12.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.414 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -62.28 149.69 86.63 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.265 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.72 -42.29 51.06 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.119 2.546 . . . . 0.0 112.749 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.79 -46.58 88.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.197 0.522 . . . . 0.0 110.303 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD11 HG22 ' B' ' 12' ' ' VAL . 66.9 tp -60.14 -39.0 84.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.281 177.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.3 m -56.34 -49.8 73.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.369 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tt -73.41 -33.11 64.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.523 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -66.32 -33.9 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.089 0.471 . . . . 0.0 109.919 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.5 mt -63.72 -42.76 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 174.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.55 71.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.0 -45.63 95.23 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.156 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -59.82 -41.71 91.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.699 0.285 . . . . 0.0 110.462 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 44' ' ' VAL . 78.7 mt -58.08 -58.72 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.393 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.45 -46.67 80.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.323 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 59.9 m -58.62 -47.35 84.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.535 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -70.22 -37.74 75.09 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.735 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 87.7 t -61.21 -48.19 90.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD13 HD13 ' B' ' 69' ' ' LEU . 97.8 mt -64.08 -22.57 66.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 111.162 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 42' ' ' THR . 8.9 t-20 -89.43 -56.88 3.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.78 -173.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -123.04 1.83 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -170.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.791 ' HE ' ' HA ' ' A' ' 48' ' ' ARG . 1.2 mmp_? -129.9 22.43 5.37 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.91 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.601 HG22 ' H ' ' A' ' 50' ' ' ALA . 2.9 p -144.28 175.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.87 141.58 29.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.29 -48.65 76.19 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.8 m -71.21 -13.53 61.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.237 0.542 . . . . 0.0 111.155 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 3.4 tp-100 -106.08 -5.48 19.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.804 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.513 ' HG2' HD11 ' B' ' 69' ' ' LEU . 42.6 ttm180 -68.06 -60.82 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.173 -167.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 59.1 tttm -67.99 -31.57 71.37 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.179 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tt -66.28 -42.76 87.98 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.718 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -71.02 -28.61 33.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.599 177.785 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.35 -44.57 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 173.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 68.7 mm-40 -56.83 -42.97 80.56 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.87 174.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.718 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 50.7 mtpt -53.36 -56.15 19.07 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.654 177.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.519 ' HB2' HD21 ' B' ' 34' ' ' LEU . 89.4 t80 -56.95 -51.55 68.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.062 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.38 75.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.861 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 14.5 mm-40 -68.68 -36.56 78.66 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.084 -177.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.86 87.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.103 0.478 . . . . 0.0 110.07 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.44 -46.14 84.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.567 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.4 tpp -69.7 -33.37 72.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.287 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 p -77.79 -20.01 54.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 0.0 110.705 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.2 m -91.62 -8.1 48.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.229 0.538 . . . . 0.0 110.205 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.536 HD13 HD13 ' B' ' 45' ' ' LEU . 42.3 tp . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.486 HG23 ' HB3' ' B' ' 11' ' ' GLN . 2.3 t . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 121.302 0.572 . . . . 0.0 109.774 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.02 -16.19 58.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.127 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 25.5 mt-10 -62.96 -50.04 72.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.814 175.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.486 ' HB3' HG23 ' B' ' 8' ' ' THR . 35.5 tt0 -69.81 -41.99 74.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.414 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 32' ' ' LEU . 64.8 t -54.73 -46.46 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.261 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.33 -44.76 84.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.834 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 44.6 mmtm -62.81 -46.61 87.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.613 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.29 -37.86 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.493 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 82.2 mt -61.35 -40.91 96.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.469 174.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.02 82.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.867 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 5.6 mm-40 -60.16 -54.26 47.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 109.922 175.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 59.6 t -63.77 -42.89 97.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.99 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.1 77.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.38 -43.33 86.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.017 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 18' ' ' GLU . 93.1 t -60.39 -47.25 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.445 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 56.4 mt -64.39 -40.57 96.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.65 -42.13 82.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 0.0 110.495 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.32 -37.35 87.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -87.01 2.06 50.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.009 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.28 46.18 21.64 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.574 0.546 . . . . 0.0 111.764 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.509 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -66.52 131.07 45.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.202 0.525 . . . . 0.0 111.563 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 13.9 m -85.1 158.09 58.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.591 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 2.6 Cg_endo -46.42 -51.17 9.19 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.557 2.838 . . . . 0.0 113.549 -177.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -56.46 -47.27 79.52 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.037 0.446 . . . . 0.0 110.316 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' B' ' 28' ' ' ALA . 54.9 tp -63.23 -46.58 86.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.752 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.408 ' O ' ' HB ' ' B' ' 36' ' ' ILE . 57.3 m -56.32 -49.72 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 0.0 111.413 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 61' ' ' PHE . 7.5 tt -68.74 -33.1 73.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.213 -177.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 53.8 ttp -67.51 -31.43 71.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.276 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.486 HG12 ' O ' ' B' ' 32' ' ' LEU . 24.3 mm -60.64 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.08 78.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.19 94.81 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.011 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -62.35 -39.65 93.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.586 0.231 . . . . 0.0 110.411 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.522 ' O ' HG23 ' B' ' 44' ' ' VAL . 86.5 mt -57.54 -57.91 8.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.39 -47.0 82.83 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 123.372 0.42 . . . . 0.0 111.325 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 26.3 m -60.57 -47.26 86.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.978 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -66.88 -33.63 76.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.613 0.244 . . . . 0.0 110.806 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 40' ' ' ILE . 94.4 t -64.9 -45.48 94.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.536 HD13 HD13 ' A' ' 69' ' ' LEU . 97.1 mt -63.91 -19.57 65.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.865 178.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -87.91 -66.77 0.88 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.355 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -113.43 6.55 17.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.963 1.098 . . . . 0.0 113.963 -163.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -127.25 -30.78 2.62 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.551 HG22 ' HB3' ' B' ' 53' ' ' GLN . 6.1 p -89.05 157.9 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.73 0.3 . . . . 0.0 110.97 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.07 152.4 38.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.78 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.53 -52.56 61.64 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -62.37 -34.89 77.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.275 0.559 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.551 ' HB3' HG22 ' B' ' 49' ' ' VAL . 4.9 tp-100 -76.58 -25.74 54.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.837 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -48.81 -58.69 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.814 0.696 . . . . 0.0 112.443 -172.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -68.59 -39.49 80.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.8 -50.04 59.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.378 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.525 HG21 HG21 ' B' ' 49' ' ' VAL . 14.5 tt -67.23 -35.19 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.787 -174.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.18 86.65 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.076 0.465 . . . . 0.0 110.827 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.76 -43.51 62.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.294 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -57.56 -45.59 84.97 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.152 175.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -60.16 -49.38 77.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -60.86 -43.42 98.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.95 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.62 -40.73 84.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.529 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.73 -38.31 89.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.368 . . . . 0.0 110.411 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.31 -45.08 85.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.66 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 26.4 mmt -68.13 -30.47 69.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 111.036 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -72.24 -36.27 69.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.993 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -88.13 3.58 48.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.803 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.549 HD13 HD13 ' A' ' 45' ' ' LEU . 58.1 tp . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.251 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.8 112.58 8.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.759 175.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.92 -44.16 78.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.705 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 25.0 mm-40 -61.98 -45.83 91.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.435 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' O ' HG13 ' A' ' 15' ' ' ILE . 10.3 tt0 -63.61 -44.61 93.45 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.922 -175.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.37 -44.45 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.77 -39.99 95.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.438 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 73.3 mmtt -68.09 -41.61 81.59 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.872 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 11' ' ' GLN . 67.2 mt -60.89 -46.44 96.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 HG23 ' B' ' 36' ' ' ILE . 95.4 mt -59.68 -39.18 83.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.43 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.25 -44.93 93.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.084 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.29 -45.25 94.08 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.765 0.317 . . . . 0.0 110.696 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 87.9 t -62.46 -48.65 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 24' ' ' GLU . . . -62.88 -30.76 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.02 -45.58 91.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.269 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.51 -42.17 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.123 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.501 HD13 HG23 ' A' ' 33' ' ' THR . 73.1 mt -65.94 -42.21 90.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.538 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 3.5 tp10 -62.2 -50.81 70.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.757 -177.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -67.61 -29.49 68.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.35 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -82.68 -3.93 57.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.032 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.42 45.85 26.24 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.599 0.562 . . . . 0.0 110.329 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.45 117.63 8.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.992 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 m -58.1 152.96 37.66 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.607 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -52.14 -47.54 26.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.763 2.309 . . . . 0.0 112.857 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -57.43 -46.54 83.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.009 0.433 . . . . 0.0 110.074 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 tp -63.97 -51.46 64.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.746 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.501 HG23 HD13 ' A' ' 23' ' ' LEU . 40.3 m -54.21 -49.29 69.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.563 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' B' ' 61' ' ' PHE . 6.9 tt -72.92 -31.1 64.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.821 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -66.87 -35.83 80.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.7 mt -60.72 -42.07 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.307 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.92 89.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.071 0.463 . . . . 0.0 110.381 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.04 -39.14 93.0 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.186 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.62 -43.98 89.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 44' ' ' VAL . 81.8 mt -58.81 -57.0 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.391 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.64 74.54 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.351 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.5 m -54.91 -55.62 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.99 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -62.69 -40.73 98.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.62 0.248 . . . . 0.0 111.103 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 40' ' ' ILE . 97.6 t -65.78 -42.17 91.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.54 ' HA ' HG12 ' A' ' 49' ' ' VAL . 96.5 mt -66.38 -45.25 80.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.074 0.464 . . . . 0.0 110.642 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -68.78 -45.99 69.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.402 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -128.52 32.61 4.81 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -151.97 -48.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.065 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 45' ' ' LEU . 2.6 p -81.11 152.85 4.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.435 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.49 139.57 58.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.47 76.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.918 0.39 . . . . 0.0 110.806 177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 t -66.85 -23.76 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.348 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 5.6 tp-100 -97.1 -21.58 17.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.448 -178.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -52.21 -50.19 62.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.892 -167.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 6.8 tmtt? -71.63 -40.95 69.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.873 0.368 . . . . 0.0 110.357 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.34 -43.5 77.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.482 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.505 HG21 HG21 ' A' ' 49' ' ' VAL . 17.2 tt -71.2 -25.76 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.356 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.0 80.83 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.084 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 30.1 mm-40 -61.53 -43.72 98.34 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.927 174.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -58.11 -43.67 87.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.506 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.7 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 79.7 t80 -59.83 -54.17 49.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.588 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.09 -43.81 91.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.045 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -61.54 -41.74 97.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.26 88.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.738 0.304 . . . . 0.0 110.417 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mp -58.35 -48.31 80.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.065 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.7 mmt -69.94 -34.02 72.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.758 -175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.7 p -77.45 -26.52 51.57 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.382 -0.199 . . . . 0.0 111.452 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.0 p -105.39 10.98 33.22 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.063 0.459 . . . . 0.0 111.035 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' B' ' 54' ' ' ARG . 49.1 tp . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.751 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.44 -37.9 70.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.192 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 37.4 tt0 -54.47 -57.62 10.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.47 178.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -61.42 -39.75 91.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.089 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.0 t -55.48 -50.04 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.96 -45.99 86.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.191 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 64.5 mmtt -66.7 -35.69 80.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.186 -174.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.414 ' O ' HG23 ' B' ' 19' ' ' VAL . 69.8 mt -69.48 -44.37 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 176.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.5 -38.03 71.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.481 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -63.77 -46.11 86.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.038 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 16.1 mm-40 -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.723 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 19' ' ' VAL . 98.0 t -63.23 -42.74 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.248 177.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.2 74.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.74 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 50.0 mt -65.79 -34.8 78.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.052 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.559 HG12 HG23 ' A' ' 15' ' ' ILE . 45.7 t -66.97 -42.84 89.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.59 -44.0 95.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.17 176.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.81 -43.2 98.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.91 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -63.04 -43.33 98.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.17 -177.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -87.77 -4.41 58.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.567 -178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.02 47.69 14.4 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.323 0.583 . . . . 0.0 110.452 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -63.41 130.88 46.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.342 -0.845 . . . . 0.0 112.334 -176.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -69.49 155.63 93.17 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.985 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.15 -49.52 16.02 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.08 2.52 . . . . 0.0 113.358 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.36 -36.43 82.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.833 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 28' ' ' ALA . 69.2 tp -62.77 -44.07 97.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 61.7 m -57.1 -51.06 70.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.281 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.83 -36.79 75.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.821 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.4 ttp -66.62 -32.58 74.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.99 0.424 . . . . 0.0 110.255 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.409 HG23 HD23 ' A' ' 16' ' ' LEU . 11.8 mt -63.16 -44.31 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 173.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.75 79.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.055 0.455 . . . . 0.0 110.524 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.79 -45.08 96.95 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.895 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -60.86 -39.15 88.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.36 0.124 . . . . 0.0 110.962 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.516 ' O ' HG23 ' B' ' 44' ' ' VAL . 76.4 mt -58.19 -57.79 9.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.577 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -55.48 -45.9 76.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.349 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 38.3 m -60.85 -43.1 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.288 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -60.78 -43.26 98.32 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 40' ' ' ILE . 58.5 t -62.55 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.614 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.5 mt -66.19 -22.7 66.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.908 -177.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -99.51 -40.59 7.77 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.944 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -105.37 -39.21 6.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -106.0 22.88 14.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -165.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 p -145.26 163.44 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.599 0.237 . . . . 0.0 110.531 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.9 147.88 42.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.019 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . 0.527 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . . . -59.69 -39.44 84.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.008 -176.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -79.69 -18.1 52.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.117 0.484 . . . . 0.0 110.688 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.466 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 8.0 tp-100 -85.86 -22.09 27.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.528 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.527 ' NE ' ' HA ' ' B' ' 51' ' ' ALA . 65.4 mtt-85 -46.22 -58.38 3.72 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.605 0.566 . . . . 0.0 112.38 -171.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -71.28 -40.01 71.17 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.359 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.24 -51.51 69.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.466 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.0 tt -72.19 -20.94 20.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.735 -176.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -48.51 44.89 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.741 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -79.84 -25.34 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.691 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -58.26 -46.93 85.11 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 168.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.7 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 35.9 t80 -61.98 -51.1 69.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.005 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -57.64 -41.0 80.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.668 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -63.77 -44.93 91.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.53 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.13 95.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.756 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.32 -45.52 93.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.462 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.5 mmt -68.15 -31.87 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.047 0.451 . . . . 0.0 110.584 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 25.8 t -68.09 -32.06 72.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.774 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.7 t -104.33 13.19 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.436 -178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.851 -179.231 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 C--O 1.238 0.469 0 CA-C-O 121.033 0.444 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 25.1 m -62.93 114.98 3.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 173.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -35.48 80.95 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -174.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -67.22 -37.22 83.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.651 175.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.557 ' O ' HG13 ' A' ' 15' ' ' ILE . 33.6 tt0 -54.22 -55.54 27.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.441 HG22 HD11 ' B' ' 32' ' ' LEU . 42.5 t -58.0 -49.76 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.061 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -55.37 -45.07 76.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.345 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -31.54 60.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.274 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.589 HG23 HG12 ' B' ' 22' ' ' VAL . 76.2 mt -64.29 -46.88 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 174.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.87 -36.74 72.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.812 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.92 92.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.49 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.4 mm-40 -70.01 -43.22 71.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.433 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 15' ' ' ILE . 91.2 t -58.35 -45.87 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.706 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.75 98.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.641 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.4 tt -60.95 -37.05 81.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.377 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.544 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 77.4 t -63.2 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.091 0.472 . . . . 0.0 110.714 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.1 mt -69.1 -39.8 78.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.699 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -34.68 78.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.589 0.233 . . . . 0.0 111.075 175.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 52.4 mtpt -60.58 -19.73 58.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.288 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -121.17 6.73 10.24 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.438 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.26 46.83 25.95 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.13 0.49 . . . . 0.0 110.956 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 137.02 58.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.967 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.8 p -82.52 163.19 53.19 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.604 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.77 -39.51 89.25 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.386 2.057 . . . . 0.0 111.653 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.89 -51.03 66.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.57 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 36' ' ' ILE . 54.6 tp -61.83 -40.82 96.64 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.632 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.3 m -57.11 -46.38 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.39 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.5 -30.4 64.48 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttp -68.2 -34.93 77.17 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.935 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 41.4 mm -56.91 -50.07 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.55 96.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.021 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -45.23 96.3 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.953 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -66.53 -34.44 77.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.57 0.185 . . . . 0.0 110.638 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 36' ' ' ILE . 67.6 mt -58.31 -54.68 29.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 173.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.554 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.32 -44.0 88.43 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.98 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.3 m -61.17 -45.19 95.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.886 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -58.88 -42.25 89.03 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.974 0.416 . . . . 0.0 110.238 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.697 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 69.9 t -62.21 -49.64 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.987 175.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 97.5 mt -60.54 -19.69 57.97 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.708 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -88.5 -59.41 2.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.777 0.323 . . . . 0.0 111.377 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -114.32 -31.72 6.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -169.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.697 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 41.7 mtt180 -96.95 15.83 21.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -168.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG22 ' HB3' ' A' ' 53' ' ' GLN . 4.0 p -138.75 161.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.85 146.71 37.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -56.16 -42.0 76.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.946 0.403 . . . . 0.0 111.491 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.5 m -77.41 -2.69 36.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.443 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 7.1 tp60 -107.12 -18.4 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.322 -0.236 . . . . 0.0 111.532 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 66.3 mtt-85 -47.65 -63.21 1.12 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -171.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HA ' HD11 ' B' ' 69' ' ' LEU . 8.8 tmtm? -69.14 -35.43 76.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.839 -174.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 56' ' ' LEU . 40.5 mt -67.51 -47.63 69.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.581 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.567 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 16.2 tt -68.1 -27.26 36.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.02 -178.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.49 83.0 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.76 174.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 57.3 mm-40 -64.2 -46.98 81.53 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.195 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 28.0 mtpp -53.97 -46.4 71.65 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.416 176.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.603 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 82.6 t80 -59.11 -50.98 71.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.044 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.45 -44.12 96.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.322 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -60.99 -40.64 94.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.052 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.15 -36.3 81.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.979 0.419 . . . . 0.0 110.682 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.8 tp -69.98 -40.75 75.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.701 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 23.6 mmt -70.56 -31.44 68.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.713 0.292 . . . . 0.0 111.533 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 p -79.06 -23.77 44.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.919 0.39 . . . . 0.0 110.84 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 m -91.39 -1.26 57.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.283 0.563 . . . . 0.0 110.172 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' B' ' 54' ' ' ARG . 59.7 tp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.275 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.517 ' HB ' ' CB ' ' B' ' 11' ' ' GLN . 10.8 m . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.31 -47.5 83.52 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.872 0.367 . . . . 0.0 111.056 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 2.6 tt0 -57.59 -41.33 80.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.511 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.517 ' CB ' ' HB ' ' B' ' 8' ' ' THR . 45.5 tt0 -63.11 -37.66 88.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.13 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 8' ' ' THR . 98.9 t -57.96 -45.79 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.97 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.14 -35.53 81.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.423 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 34.3 mmtp -64.55 -43.8 92.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.621 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.511 HG13 ' O ' ' B' ' 11' ' ' GLN . 76.2 mt -60.72 -46.21 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.509 HD23 HG23 ' A' ' 36' ' ' ILE . 89.8 mt -57.26 -43.6 83.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.574 177.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -61.21 -46.35 90.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.85 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.517 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.3 mt-10 -59.2 -46.53 88.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.617 178.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.465 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 98.7 t -62.05 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.761 178.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.07 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 50.2 mt -69.92 -32.44 70.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.972 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.589 HG12 HG23 ' A' ' 15' ' ' ILE . 85.6 t -64.41 -40.53 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.354 0.597 . . . . 0.0 109.497 174.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 67.2 mt -62.36 -52.17 64.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.124 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.89 -34.54 76.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.944 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -58.86 -32.83 69.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.419 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -106.6 8.72 31.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.706 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.5 35.08 17.69 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.305 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' B' ' 23' ' ' LEU . . . -61.18 129.73 42.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.398 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.6 p -72.66 164.61 58.89 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.407 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 50.4 Cg_exo -54.89 -35.65 89.61 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.325 2.017 . . . . 0.0 111.505 173.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.94 -52.84 63.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.464 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.441 HD11 HG22 ' A' ' 12' ' ' VAL . 49.5 tp -65.21 -34.82 79.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.374 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 94.4 m -55.13 -54.64 40.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.972 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tt -73.19 -31.68 64.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.444 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ttm -57.95 -44.66 87.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.421 0.629 . . . . 0.0 110.016 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.498 ' O ' HG13 ' B' ' 40' ' ' ILE . 50.2 mt -66.76 -37.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.196 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.06 -41.58 83.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.058 0.456 . . . . 0.0 110.558 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.81 -41.29 97.61 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.04 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -58.79 -40.4 83.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.653 0.263 . . . . 0.0 110.547 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 36' ' ' ILE . 76.7 mt -60.07 -57.56 11.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.574 178.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.533 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -54.96 -43.8 73.8 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 123.168 0.293 . . . . 0.0 111.351 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.1 m -65.32 -44.78 86.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.331 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.77 -32.84 74.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 110.443 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 40' ' ' ILE . 80.8 t -63.73 -44.28 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 96.8 mt -61.6 -34.02 74.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.712 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -73.65 -50.42 21.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.26 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -110.48 -67.11 1.01 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -172.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.03 49.2 1.48 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -168.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -163.38 164.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.612 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.56 146.66 23.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.259 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.13 -39.38 72.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 111.39 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.1 t -67.2 -19.9 65.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.946 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -97.42 -18.94 18.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.912 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.666 ' HB3' HD11 ' A' ' 69' ' ' LEU . 95.2 mtt180 -51.39 -58.31 6.58 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.579 ' HE2' ' HB2' ' B' ' 59' ' ' GLU . 10.2 tptm -62.89 -45.06 94.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.956 -178.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.79 -50.23 71.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.746 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 16.5 tt -70.36 -30.88 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.361 -172.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.91 -41.36 59.87 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.049 0.452 . . . . 0.0 110.439 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLU . . . . . 0.579 ' HB2' ' HE2' ' B' ' 55' ' ' LYS . 38.8 tt0 -66.8 -41.87 86.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.105 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -66.91 -29.79 69.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.327 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.603 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 86.9 t80 -67.8 -49.1 64.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.191 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -58.7 -40.69 84.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.726 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.14 -48.63 80.9 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.577 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.97 81.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.001 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 29.0 tp -66.75 -34.3 77.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.358 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.2 mmt -73.68 -24.51 59.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.079 0.466 . . . . 0.0 110.007 176.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.2 t -73.57 -36.53 65.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.303 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.7 p -91.24 -7.28 51.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.115 0.483 . . . . 0.0 111.062 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 55' ' ' LYS . 7.0 tt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.183 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.571 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 65.3 m-85 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.646 ' HB ' ' HG2' ' A' ' 11' ' ' GLN . 58.9 m -67.84 123.36 20.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 173.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.41 -38.67 74.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.445 -175.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.5 mm-40 -52.3 -47.14 66.11 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 176.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.646 ' HG2' ' HB ' ' A' ' 8' ' ' THR . 11.8 mm100 -55.95 -50.71 70.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.458 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.544 HG22 HD11 ' B' ' 32' ' ' LEU . 45.0 t -61.65 -50.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.934 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.64 -43.29 93.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.631 -174.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 67.9 mmtt -75.35 -38.5 60.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.149 -174.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 19' ' ' VAL . 76.3 mt -63.53 -49.78 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.41 HD23 HG23 ' B' ' 36' ' ' ILE . 80.9 mt -56.03 -40.98 74.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.806 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.88 52.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.162 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.564 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.1 mt-10 -65.08 -40.56 94.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.32 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 71.3 t -60.99 -50.31 81.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.584 0.23 . . . . 0.0 110.792 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -62.52 -36.28 82.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.64 -43.19 97.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 177.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 18' ' ' GLU . 84.7 t -61.57 -39.17 82.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.658 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 45.7 mt -59.47 -51.86 68.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.179 176.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.84 -26.62 65.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.216 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.27 -38.9 92.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.762 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -99.69 7.86 44.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.91 43.02 22.09 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.492 0.495 . . . . 0.0 111.297 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -65.1 132.29 48.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.605 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 m -75.05 163.88 65.11 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.089 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -50.08 14.39 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.66 2.24 . . . . 0.0 112.76 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -59.65 -41.93 91.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.772 0.32 . . . . 0.0 110.585 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 28' ' ' ALA . 39.8 tp -62.0 -49.29 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.223 177.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.531 HG23 HD13 ' A' ' 23' ' ' LEU . 54.0 m -57.27 -50.85 71.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.771 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tt -68.85 -33.81 74.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.026 -175.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -63.7 -35.58 81.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 40' ' ' ILE . 67.4 mt -60.52 -46.57 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.4 175.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.38 92.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.024 0.44 . . . . 0.0 110.844 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.8 95.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.822 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -61.14 -41.48 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 176.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 36' ' ' ILE . 48.6 mm -57.18 -62.03 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.065 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.6 75.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.707 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.3 m -57.03 -49.08 76.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.954 0.406 . . . . 0.0 110.606 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -68.48 -40.23 81.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.302 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 40' ' ' ILE . 85.5 t -60.01 -47.4 91.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.725 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.991 HD13 HD12 ' B' ' 69' ' ' LEU . 88.0 mt -63.64 -40.59 97.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.49 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -79.36 -16.08 56.85 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -124.41 -63.55 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -175.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -104.94 62.96 0.7 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 -169.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.44 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 2.9 p -168.84 150.54 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 172.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.19 135.64 53.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.985 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.96 80.68 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.216 0.323 . . . . 0.0 111.754 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.3 m -68.86 -39.42 79.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.156 0.503 . . . . 0.0 110.247 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -78.27 -23.31 47.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.234 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -53.34 -48.61 68.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.748 -1.114 . . . . 0.0 112.923 -170.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.944 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -70.07 -45.28 67.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.858 0.361 . . . . 0.0 110.485 -176.713 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -65.96 -45.07 83.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.246 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.7 tt -67.43 -26.16 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.373 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.37 -44.03 53.96 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.853 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -44.99 96.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.161 0.505 . . . . 0.0 110.365 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -64.85 -35.26 80.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.603 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.413 ' HE1' ' CA ' ' B' ' 38' ' ' GLY . 66.0 t80 -59.91 -52.06 67.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.402 175.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.27 96.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.737 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -59.73 -47.74 84.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.175 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.66 94.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.911 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 tp -66.0 -47.16 75.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.0 tpp -71.23 -31.8 68.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.1 -176.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.8 p -77.2 -31.81 55.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.7 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 m -86.29 -1.06 57.16 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.531 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.811 HD11 ' HB3' ' B' ' 54' ' ' ARG . 62.8 tp . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.554 ' HB ' ' HG3' ' B' ' 11' ' ' GLN . 27.1 m . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.94 -28.11 69.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.937 -173.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.26 -30.21 68.28 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.8 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.557 ' O ' HG13 ' B' ' 15' ' ' ILE . 75.3 mt-30 -64.22 -48.33 76.28 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.46 HG22 HD11 ' A' ' 32' ' ' LEU . 61.0 t -55.13 -50.59 62.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.434 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -54.59 -47.52 73.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.327 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -66.83 -36.6 82.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 11' ' ' GLN . 58.8 mt -67.42 -49.1 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.403 HD23 HG23 ' A' ' 36' ' ' ILE . 99.1 mt -56.27 -42.33 77.27 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.701 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -52.04 66.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.256 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.525 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.0 mt-10 -67.82 -38.45 83.27 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.136 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.5 ' O ' HD13 ' B' ' 23' ' ' LEU . 65.3 t -64.69 -53.39 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.583 0.23 . . . . 0.0 111.178 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.32 -30.27 71.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.954 0.407 . . . . 0.0 110.871 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 tt -65.61 -35.21 80.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.533 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 18' ' ' GLU . 71.0 t -68.49 -43.6 83.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.2 0.524 . . . . 0.0 109.845 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.5 HD13 ' O ' ' B' ' 19' ' ' VAL . 4.7 mp -57.61 -48.87 78.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.865 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.38 -47.47 67.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.442 -176.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -68.92 -21.65 64.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -96.46 3.37 52.82 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.964 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.79 48.18 14.2 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.198 0.523 . . . . 0.0 111.004 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.1 123.37 21.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.865 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -58.37 151.44 49.04 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.164 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.61 -48.34 21.87 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.742 2.295 . . . . 0.0 113.058 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.571 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -65.03 -41.86 94.88 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.544 HD11 HG22 ' A' ' 12' ' ' VAL . 54.8 tp -61.43 -42.2 98.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.329 177.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 96.6 m -53.18 -45.99 68.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.752 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tt -75.7 -34.99 60.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.667 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.7 ttp -66.55 -32.16 73.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.94 0.4 . . . . 0.0 110.393 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 15' ' ' ILE . 47.8 mt -64.88 -42.27 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.259 175.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.438 ' HA ' HD12 ' B' ' 40' ' ' ILE . . . -60.48 -36.23 77.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.267 175.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.413 ' CA ' ' HE1' ' A' ' 61' ' ' PHE . . . -64.18 -41.78 98.23 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.071 175.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -61.21 -40.22 93.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.607 0.242 . . . . 0.0 110.376 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' B' ' 37' ' ' ALA . 84.8 mt -55.67 -58.65 4.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.06 175.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -56.0 -46.38 78.74 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.49 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 67.0 m -56.49 -53.78 53.44 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.939 0.4 . . . . 0.0 111.172 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.44 -37.16 86.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 69.4 t -68.21 -44.51 84.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.835 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.538 ' O ' HG12 ' B' ' 49' ' ' VAL . 94.1 mt -62.4 -45.14 94.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.873 0.368 . . . . 0.0 111.371 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -81.08 -23.08 38.71 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -125.87 -23.49 3.97 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -173.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.416 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 82.3 mtt180 -118.84 -6.93 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -171.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.538 HG12 ' O ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -119.61 162.96 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.631 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' B' ' 53' ' ' GLN . . . -65.36 138.56 58.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.461 -177.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.92 94.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -66.15 -26.39 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.353 0.597 . . . . 0.0 110.61 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.57 ' HB2' ' HB3' ' B' ' 50' ' ' ALA . 8.2 tp60 -92.87 -17.48 24.0 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.441 -171.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.811 ' HB3' HD11 ' A' ' 69' ' ' LEU . 91.8 mtt180 -50.06 -59.97 3.39 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -172.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 9.7 tmtt? -68.86 -34.73 75.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.004 0.431 . . . . 0.0 110.464 -175.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.31 -47.79 54.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.833 -175.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.408 HG22 ' O ' ' B' ' 53' ' ' GLN . 16.8 tt -73.21 -32.21 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.66 -176.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.51 -35.02 78.3 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.156 0.503 . . . . 0.0 109.991 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.31 -49.9 69.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.675 176.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -58.91 -42.21 89.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.16 -47.84 80.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.837 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -64.23 -45.41 88.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.273 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -45.01 96.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.76 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.93 99.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.749 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.02 -37.97 89.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.918 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.6 mmt -71.86 -24.32 61.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.044 0.45 . . . . 0.0 110.57 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 24.4 m -82.13 -26.03 33.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.839 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.9 p -95.8 3.58 53.63 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.464 0.649 . . . . 0.0 110.288 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.991 HD12 HD13 ' A' ' 45' ' ' LEU . 9.6 tt . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.131 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 67.1 m-85 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 121.158 0.504 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 11' ' ' GLN . 4.0 t -111.11 140.14 45.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.797 174.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -62.22 -31.48 72.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.284 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 7.5 tp10 -59.7 -53.59 56.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.51 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 15' ' ' ILE . 54.0 tt0 -62.15 -46.78 87.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.664 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.52 HG22 HD11 ' B' ' 32' ' ' LEU . 57.4 t -61.64 -41.67 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.687 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.57 -45.27 81.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 67.6 mmtt -63.69 -42.18 98.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.531 -176.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 11' ' ' GLN . 39.7 mt -63.82 -51.96 63.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.089 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.448 ' CD2' HG23 ' B' ' 36' ' ' ILE . 85.5 mt -56.94 -41.36 78.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.308 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.44 93.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.321 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 22' ' ' VAL . 39.2 mt-10 -76.16 -32.0 58.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.327 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 78.1 t -60.86 -46.88 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 174.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -64.58 -31.83 73.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.671 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.19 -39.4 92.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.212 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 18' ' ' GLU . 99.8 t -65.49 -41.22 90.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.22 177.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 62.7 mt -61.1 -49.66 76.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.28 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -60.14 -39.11 85.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.437 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -58.08 -43.88 87.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.205 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -94.77 7.81 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.595 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.93 42.54 28.63 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.425 0.631 . . . . 0.0 110.45 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -63.17 115.75 4.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.185 -176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 p -63.09 157.83 59.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.631 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HB3' ' O ' ' B' ' 48' ' ' ARG . 72.3 Cg_exo -50.35 -45.0 36.27 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.897 2.398 . . . . 0.0 112.406 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.33 -45.57 87.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 28' ' ' ALA . 53.8 tp -61.19 -45.08 96.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.246 177.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.483 HG23 HD13 ' A' ' 23' ' ' LEU . 93.7 m -55.67 -51.56 66.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.481 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.24 -30.79 65.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.606 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -67.45 -36.12 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.105 0.478 . . . . 0.0 110.05 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.48 HG23 HD23 ' B' ' 16' ' ' LEU . 34.6 mt -61.08 -45.68 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.439 174.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.28 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.25 -44.2 98.41 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.897 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -59.76 -46.84 87.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 44' ' ' VAL . 85.1 mt -53.58 -58.79 2.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.92 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -178.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.0 m -62.45 -42.74 99.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.399 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -66.51 -37.53 85.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.917 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 40' ' ' ILE . 86.2 t -65.73 -49.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.42 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' HA ' HG11 ' A' ' 49' ' ' VAL . 96.6 mt -58.15 -45.78 86.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.73 -178.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -77.72 -22.79 49.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.776 -174.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -106.81 -71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -112.59 79.18 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -168.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 45' ' ' LEU . 4.2 p -172.42 159.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.88 125.07 24.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.462 0.173 . . . . 0.0 110.546 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.75 67.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.363 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 p -73.81 -16.91 61.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 0.0 111.051 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.49 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 8.6 tp-100 -97.5 -13.86 21.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.573 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -51.89 -61.84 2.0 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -174.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -57.46 -44.77 85.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.711 0.291 . . . . 0.0 111.264 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.541 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 57.8 mt -62.74 -51.05 68.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.637 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.49 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 13.8 tt -72.61 -22.91 20.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.827 -174.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.68 -36.0 60.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.108 0.48 . . . . 0.0 109.94 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -48.34 78.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.697 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 88.5 mttt -59.06 -41.7 88.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.238 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.464 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 83.0 t80 -58.74 -55.96 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.699 177.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.14 85.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -64.88 -36.26 83.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.74 95.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.695 0.283 . . . . 0.0 110.597 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp -57.63 -41.92 82.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.983 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.555 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . 54.7 mtt -85.18 -13.6 49.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.352 -175.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.8 t -82.82 -38.22 23.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.279 0.561 . . . . 0.0 109.49 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -97.65 14.82 25.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.745 HD21 ' HG2' ' B' ' 55' ' ' LYS . 23.7 tp . . . . . 0 C--O 1.234 0.273 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.574 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.525 ' HB ' ' HB3' ' B' ' 11' ' ' GLN . 4.8 m . . . . . 0 C--O 1.233 0.229 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -64.26 -40.44 96.0 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -170.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.559 ' HG2' ' HD3' ' B' ' 14' ' ' LYS . 18.7 tt0 -70.0 -36.66 75.3 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.382 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.542 ' O ' HG13 ' B' ' 15' ' ' ILE . 53.7 tt0 -61.68 -46.22 90.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.342 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.8 -44.39 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.316 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -54.98 -46.28 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.485 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.559 ' HD3' ' HG2' ' B' ' 10' ' ' GLU . 1.4 mptm? -65.36 -42.91 92.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.558 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 11' ' ' GLN . 64.8 mt -63.69 -42.34 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.48 HD23 HG23 ' A' ' 36' ' ' ILE . 91.7 mt -59.26 -42.84 92.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.359 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.49 99.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.933 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.2 mt-10 -62.96 -46.7 86.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.91 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.493 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 81.5 t -59.86 -45.06 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.367 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -60.76 -36.02 77.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.086 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 55.0 mt -69.41 -32.4 71.36 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.983 177.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 18' ' ' GLU . 96.3 t -63.47 -40.17 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 20' ' ' ALA . 39.0 mt -62.86 -53.3 56.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.023 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.11 -35.9 78.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.904 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' B' ' 21' ' ' LEU . 13.4 tmtt? -68.41 -24.53 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.817 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -110.41 11.89 23.13 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.35 -0.218 . . . . 0.0 111.388 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.26 47.85 13.53 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.627 0.579 . . . . 0.0 111.292 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' B' ' 23' ' ' LEU . . . -85.85 115.43 23.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.923 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.721 ' HB2' ' OE2' ' B' ' 31' ' ' GLU . 4.7 m -69.47 161.76 71.57 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.344 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 9.4 Cg_endo -52.96 -41.14 73.35 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.156 2.571 . . . . 0.0 113.653 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.721 ' OE2' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -69.1 -40.41 78.41 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.266 -178.136 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 57.0 tp -62.81 -42.23 99.63 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 172.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' B' ' 30' ' ' PRO . 53.5 m -53.29 -47.75 68.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.173 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.11 -37.21 78.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.53 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.1 ttp -65.54 -32.57 74.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.124 0.488 . . . . 0.0 109.98 176.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 16' ' ' LEU . 34.6 mt -64.36 -43.08 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.765 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.59 79.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.556 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.19 99.73 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.799 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -60.35 -44.11 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.548 0.213 . . . . 0.0 110.601 176.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.471 ' O ' HG23 ' B' ' 44' ' ' VAL . 77.2 mt -56.89 -59.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.53 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.487 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -55.15 -48.71 73.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.656 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 34.5 m -61.09 -44.85 96.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.481 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' B' ' 47' ' ' GLN . 80.4 m-20 -65.1 -36.09 83.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.536 0.207 . . . . 0.0 110.785 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 40' ' ' ILE . 74.2 t -63.6 -43.82 98.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.7 0.286 . . . . 0.0 110.239 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.506 ' HA ' HG11 ' B' ' 49' ' ' VAL . 94.4 mt -63.22 -28.58 70.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.235 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -73.17 -47.77 40.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.472 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 43' ' ' ASN . 10.0 pt20 -115.81 -62.56 1.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -172.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 93.8 mtt180 -85.96 59.16 5.46 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.506 HG11 ' HA ' ' B' ' 45' ' ' LEU . 8.0 p -166.56 152.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 172.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 131.75 51.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.155 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.23 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.4 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -75.88 -13.33 60.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.827 0.346 . . . . 0.0 111.623 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.502 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.9 tp-100 -96.29 -16.54 21.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.422 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -48.37 -56.21 8.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -172.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.745 ' HG2' HD21 ' A' ' 69' ' ' LEU . 47.6 mtpt -75.89 -35.01 59.98 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.329 -175.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -65.5 -47.37 76.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.97 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.502 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 15.1 tt -71.06 -27.15 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.902 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.09 -39.02 72.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.09 0.471 . . . . 0.0 110.282 176.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -65.03 -46.78 79.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 175.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.27 -38.45 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.574 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' PHE . . . . . 0.464 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 74.5 t80 -67.36 -48.44 67.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.003 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.71 94.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.307 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -67.9 -33.29 74.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.385 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.61 94.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.742 0.306 . . . . 0.0 110.404 176.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.63 -44.83 95.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.196 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mmt -71.2 -29.89 65.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.432 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.9 p -84.59 -24.95 28.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.702 0.287 . . . . 0.0 111.067 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 18.2 m -94.3 2.02 55.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.372 0.606 . . . . 0.0 110.241 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 tp . . . . . 0 N--CA 1.451 -0.413 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.625 178.387 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.235 0.32 0 CA-C-O 121.015 0.436 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.76 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 18.8 m -88.69 131.5 34.98 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.63 -60.82 2.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.529 -175.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 42.3 mt-10 -64.51 -27.99 69.35 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.328 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.76 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 59.0 tt0 -58.63 -51.99 67.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 48.9 t -64.85 -51.35 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.703 177.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 16' ' ' LEU . 34.6 tt0 -65.03 -37.45 87.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.375 -172.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -76.97 -32.29 57.17 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.038 -178.103 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.8 -42.17 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.614 HD23 HG23 ' B' ' 36' ' ' ILE . 91.9 mt -56.31 -46.25 79.9 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.22 174.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.7 88.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.687 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.4 mt-10 -66.52 -44.89 81.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.64 0.257 . . . . 0.0 110.535 177.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.507 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 87.0 t -59.62 -46.87 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.115 0.483 . . . . 0.0 110.298 176.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.44 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -61.49 -33.61 74.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.81 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.7 tp -69.1 -38.43 78.95 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.478 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 18' ' ' GLU . 97.0 t -62.12 -36.58 75.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.548 0.69 . . . . 0.0 109.397 176.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 73.7 mt -63.78 -51.33 65.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.086 175.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.95 -38.15 90.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.68 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 6.2 tmtm? -51.82 -42.13 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.294 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -99.25 7.06 46.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.05 40.13 31.83 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.834 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.37 131.37 50.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.627 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 55.1 m -76.85 162.16 71.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.988 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 82.1 Cg_exo -48.48 -47.16 21.2 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.295 2.663 . . . . 0.0 113.709 -177.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.44 -47.56 85.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' CD1' HG22 ' B' ' 12' ' ' VAL . 47.2 tp -58.93 -40.51 84.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.299 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.47 HG23 HD13 ' A' ' 23' ' ' LEU . 92.9 m -55.35 -52.92 61.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.335 177.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 tt -73.35 -31.94 64.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.538 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.6 ttm -60.0 -42.13 93.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.318 0.58 . . . . 0.0 110.1 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.613 HG23 HD23 ' B' ' 16' ' ' LEU . 71.4 mt -64.45 -40.03 87.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.758 178.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.99 83.27 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.99 0.424 . . . . 0.0 110.388 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.13 -40.74 95.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.147 177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -61.33 -39.71 91.54 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 36' ' ' ILE . 77.6 mt -59.3 -55.31 24.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.289 176.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.636 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -54.03 -50.95 65.52 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.56 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.9 p -62.7 -48.33 79.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -62.24 -34.0 75.68 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 111.1 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 40' ' ' ILE . 76.9 t -66.34 -44.76 90.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.225 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 86.7 mt -59.09 -49.14 79.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.219 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -53.55 -57.58 10.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.735 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -98.02 -44.36 6.68 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -167.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -92.8 -37.01 12.55 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.458 0.911 . . . . 0.0 113.458 -166.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.572 HG22 ' HB3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -91.3 151.26 3.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.338 -173.203 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.27 156.61 29.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.385 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HA ' ' HG2' ' A' ' 54' ' ' ARG . . . -60.0 -38.99 84.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.45 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 t -64.3 -31.54 72.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.26 0.552 . . . . 0.0 110.342 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.572 ' HB3' HG22 ' A' ' 49' ' ' VAL . 3.6 tp-100 -82.79 -21.54 34.53 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.123 -174.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 51' ' ' ALA . 25.4 mmt85 -43.68 -60.01 1.97 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.05 0.844 . . . . 0.0 112.644 -173.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -59.72 -49.79 76.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.051 0.453 . . . . 0.0 111.164 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.5 mt -66.51 -47.23 73.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.278 -174.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.922 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 15.8 tt -68.74 -30.15 46.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.799 -175.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.93 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.341 . . . . 0.0 110.667 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -73.88 -32.01 63.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.893 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.922 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 48.3 mtpt -53.74 -46.98 71.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.314 0.578 . . . . 0.0 109.883 170.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.53 ' HB2' HD21 ' B' ' 34' ' ' LEU . 57.9 t80 -60.66 -53.05 62.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.409 177.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.596 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.99 -42.78 99.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.71 -176.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.32 -53.8 53.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.674 0.273 . . . . 0.0 110.567 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.43 -35.41 70.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.759 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -69.96 -40.78 75.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 23.2 mmt -73.43 -32.97 64.69 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -71.83 -22.03 61.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.007 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.9 m -105.04 7.46 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.097 0.475 . . . . 0.0 110.745 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.536 HD13 HD13 ' B' ' 45' ' ' LEU . 58.6 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.988 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' B' ' 11' ' ' GLN . 2.0 p . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -65.03 -35.14 80.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.788 0.327 . . . . 0.0 110.776 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.49 -36.22 79.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.275 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLN . . . . . 0.529 ' HB2' ' OG1' ' B' ' 8' ' ' THR . 38.6 tt0 -63.82 -58.79 5.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.263 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' A' ' 32' ' ' LEU . 45.5 t -52.6 -56.8 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.309 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -50.75 -51.54 49.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.309 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -84.3 -19.3 33.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.994 -169.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . 0.512 HG13 ' O ' ' B' ' 11' ' ' GLN . 76.4 mt -70.53 -41.31 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 170.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.613 HD23 HG23 ' A' ' 36' ' ' ILE . 95.7 mt -56.59 -41.84 77.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.228 174.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.77 87.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.221 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.413 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.8 mt-10 -67.03 -44.32 80.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.895 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 78.5 t -60.8 -49.96 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 111.015 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.48 -32.84 74.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.33 -43.27 95.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.339 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 18' ' ' GLU . 99.2 t -61.74 -41.5 90.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.341 0.591 . . . . 0.0 110.313 178.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.527 HD13 HG23 ' B' ' 33' ' ' THR . 63.9 mt -64.8 -46.17 83.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.693 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.34 -37.54 85.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.058 0.456 . . . . 0.0 110.378 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -63.68 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -87.39 7.37 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.33 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.6 36.62 16.68 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.51 0.506 . . . . 0.0 111.218 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.495 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -67.46 114.82 6.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.808 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.457 ' OG ' ' HD2' ' B' ' 30' ' ' PRO . 4.9 t -71.48 153.64 93.7 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.246 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' PRO . . . . . 0.457 ' HD2' ' OG ' ' B' ' 29' ' ' SER . 8.7 Cg_exo -35.19 -53.35 0.73 Allowed 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.297 3.331 . . . . 0.0 114.371 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -57.78 -46.25 84.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.889 0.376 . . . . 0.0 111.199 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.558 ' O ' HG12 ' B' ' 36' ' ' ILE . 53.9 tp -64.86 -47.75 76.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.979 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' THR . . . . . 0.527 HG23 HD13 ' B' ' 23' ' ' LEU . 52.4 m -55.2 -50.68 68.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.586 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 61' ' ' PHE . 6.6 tt -69.71 -34.67 74.22 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.345 -176.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 39.9 ttp -69.36 -30.45 68.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.259 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.614 HG23 HD23 ' A' ' 16' ' ' LEU . 23.9 mm -58.11 -50.25 78.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 172.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.12 81.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.008 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.84 -42.91 99.74 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.148 -0.549 . . . . 0.0 112.169 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -63.44 -41.84 98.67 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.564 HG12 ' O ' ' B' ' 36' ' ' ILE . 50.2 mm -54.46 -52.89 35.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.682 178.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -60.62 -43.59 97.32 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.686 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 85.6 m -58.37 -49.93 75.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' B' ' 47' ' ' GLN . 92.7 m-20 -56.98 -46.54 82.16 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 121.04 0.448 . . . . 0.0 110.313 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' B' ' 48' ' ' ARG . 55.7 t -61.32 -42.5 93.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.536 HD13 HD13 ' A' ' 69' ' ' LEU . 95.1 mt -63.08 -23.68 67.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.931 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -90.06 -46.87 8.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.86 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' B' ' 43' ' ' ASN . 5.9 pt20 -134.35 26.26 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -166.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.581 ' HB2' HG13 ' B' ' 44' ' ' VAL . 12.7 mmm180 -142.02 -36.23 0.42 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.347 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.528 HG21 HG21 ' B' ' 57' ' ' ILE . 9.9 p -88.37 152.93 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.18 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 152.55 44.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.438 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.37 -46.9 87.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.351 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -29.59 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.299 0.571 . . . . 0.0 110.092 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -88.54 -6.39 57.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.441 -176.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -60.03 -66.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -168.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -72.32 -30.4 64.74 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.844 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.99 -45.73 91.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.963 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.528 HG21 HG21 ' B' ' 49' ' ' VAL . 9.8 tt -72.86 -26.16 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.3 82.25 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.112 0.482 . . . . 0.0 110.134 174.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.89 -47.26 72.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.15 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' B' ' 57' ' ' ILE . 86.9 tttt -52.73 -49.72 64.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.262 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -69.17 -48.76 61.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.517 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.88 -43.39 94.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.403 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.98 -36.95 80.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.094 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.62 96.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.035 0.445 . . . . 0.0 110.146 176.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 25.3 tp -63.49 -40.63 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.358 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.6 mmt -72.97 -29.49 63.1 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.357 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 27.1 t -72.85 -24.02 60.83 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 176.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -98.4 9.19 43.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.547 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.225 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.681 0.277 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -84.86 24.72 0.74 Allowed 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.058 2.505 . . . . 0.0 113.946 -173.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.445 ' H ' HG13 ' A' ' 3' ' ' ILE . 2.7 pp -97.37 151.04 4.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.824 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.1 m 73.85 -31.43 0.22 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.037 0.535 . . . . 0.0 112.167 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 7' ' ' TYR . 6.0 p -78.24 -95.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -177.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 5' ' ' SER . 54.9 tttm 69.27 -13.33 0.37 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.84 0.456 . . . . 0.0 111.132 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.465 ' H ' ' C ' ' A' ' 5' ' ' SER . 35.4 m-85 -82.67 163.01 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.733 0.301 . . . . 0.0 110.367 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.509 HG22 ' HB3' ' A' ' 10' ' ' GLU . 23.4 m -64.3 125.94 26.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.588 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -65.16 -32.65 74.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.707 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.509 ' HB3' HG22 ' A' ' 8' ' ' THR . 10.7 tp10 -52.53 -52.82 52.89 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.166 0.507 . . . . 0.0 109.733 171.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.55 ' O ' HG13 ' A' ' 15' ' ' ILE . 42.8 tt0 -59.72 -55.03 39.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.922 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.1 t -57.3 -49.81 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.53 -176.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.08 -42.84 95.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.091 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 31.4 mmtp -67.97 -33.77 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.109 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 11' ' ' GLN . 61.3 mt -69.33 -44.36 80.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 95.7 mt -56.62 -42.17 78.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.6 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.64 85.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.14 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.16 -38.19 72.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.429 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG13 HG13 ' B' ' 19' ' ' VAL . 79.8 t -64.21 -48.28 86.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.883 0.373 . . . . 0.0 110.543 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.96 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.689 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.543 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 10.1 tt -61.36 -40.52 94.6 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.119 177.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.61 -37.26 79.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.188 0.518 . . . . 0.0 110.695 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 33' ' ' THR . 80.4 mt -70.14 -43.39 71.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.453 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.24 -37.37 85.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.39 0.614 . . . . 0.0 109.992 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 2.9 tmtt? -56.78 -38.62 72.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.383 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -103.23 11.9 36.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.487 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.63 42.69 29.23 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.485 0.491 . . . . 0.0 111.543 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -61.91 123.69 18.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.197 0.522 . . . . 0.0 111.612 -177.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.519 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 10.4 m -76.48 163.75 64.05 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.823 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 3.3 Cg_endo -46.45 -55.31 3.86 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.372 2.715 . . . . 0.0 114.304 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.77 -41.88 99.44 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.998 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.608 ' O ' HG12 ' A' ' 36' ' ' ILE . 47.4 tp -59.25 -47.66 84.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.504 HG23 HD13 ' A' ' 23' ' ' LEU . 85.8 m -52.61 -51.87 58.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.429 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.58 -32.05 62.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.744 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.9 ttp -71.05 -30.77 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.515 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 32' ' ' LEU . 26.8 mm -60.72 -46.8 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.27 85.04 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.018 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.429 ' CA ' ' HE1' ' B' ' 61' ' ' PHE . . . -61.48 -46.39 94.44 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.381 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -61.05 -38.5 86.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.655 0.264 . . . . 0.0 110.836 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 44' ' ' VAL . 81.9 mt -59.13 -55.18 25.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.398 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.6 -40.82 88.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.7 m -58.76 -49.63 76.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -59.96 -42.12 93.4 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.991 0.424 . . . . 0.0 110.751 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 40' ' ' ILE . 65.9 t -61.5 -45.35 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.063 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 91.6 mt -68.69 -12.84 61.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.665 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -96.52 -56.2 2.68 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.87 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -107.29 -23.14 12.35 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.681 ' HB3' ' HB3' ' B' ' 30' ' ' PRO . 45.8 mtt180 -99.87 -39.73 8.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -170.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 4.6 p -86.72 164.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.03 154.26 23.36 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.6 74.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.648 0.261 . . . . 0.0 111.345 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -65.8 -32.87 74.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.275 0.56 . . . . 0.0 110.774 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.5 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 3.9 tp-100 -85.35 -6.24 59.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.47 -176.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -67.5 -60.2 2.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.173 -167.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 48.7 tptt -62.54 -38.29 89.46 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.176 -0.209 . . . . 0.0 110.887 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.2 -50.94 66.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -64.23 -31.3 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -178.183 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.84 -46.06 69.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.793 176.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 23.9 mm-40 -63.15 -42.94 99.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.953 0.406 . . . . 0.0 110.07 176.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -54.4 -45.72 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.142 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.482 ' HB2' HD21 ' B' ' 34' ' ' LEU . 58.3 t80 -63.35 -48.39 78.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.099 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -62.55 -44.54 96.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.423 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -66.44 -38.5 87.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.128 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.48 -31.34 72.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.14 0.495 . . . . 0.0 110.31 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.0 tp -74.96 -37.38 61.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.649 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 29.6 mmt -65.42 -36.29 83.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 110.63 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -79.92 -25.32 40.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.19 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -83.47 -13.76 53.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.198 0.523 . . . . 0.0 110.202 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.594 HD21 ' HG2' ' B' ' 54' ' ' ARG . 6.4 tt -71.71 97.52 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -97.33 84.07 3.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.627 0.727 . . . . 0.0 112.295 -170.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 4.7 p -88.43 162.03 40.87 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.794 166.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.38 104.94 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.467 2.112 . . . . 0.0 111.682 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 71' ' ' THR . 64.4 mttp -103.24 106.68 17.25 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.188 0.518 . . . . 0.0 111.081 -177.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.98 88.59 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.225 -1.352 . . . . 0.0 112.495 170.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -75.82 118.83 19.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.49 ' H ' HD12 ' A' ' 76' ' ' LEU . 5.3 mp -68.08 132.5 47.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.085 -177.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.22 165.06 28.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -132.77 44.86 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.008 0.432 . . . . 0.0 110.139 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -133.51 -17.72 2.26 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.298 -0.251 . . . . 0.0 111.676 -176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 43.88 45.32 6.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 122.273 1.035 . . . . 0.0 109.867 -171.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -81.69 149.97 28.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.189 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -107.08 151.61 25.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.188 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.6 t60 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.144 -0.932 . . . . 0.0 109.167 179.158 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.421 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 24.8 mmt . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 2.1 Cg_endo -83.06 45.27 1.84 Allowed 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.405 2.736 . . . . 0.0 113.135 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.5 pt -74.06 -21.95 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 109.971 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.7 m -117.48 152.11 35.73 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m -48.34 133.17 16.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.862 0.363 . . . . 0.0 111.005 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.822 ' H ' ' HD2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -77.51 86.14 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.841 0.829 . . . . 0.0 111.262 -174.656 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 51.7 m-85 -85.67 162.45 18.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.355 -0.838 . . . . 0.0 109.027 172.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.511 ' HB ' ' CB ' ' B' ' 11' ' ' GLN . 11.2 m -57.87 122.47 13.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -60.73 -48.09 83.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.754 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 42.2 tt0 -63.41 -33.06 74.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.421 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.511 ' CB ' ' HB ' ' B' ' 8' ' ' THR . 56.5 tt0 -62.8 -45.83 90.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.196 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.29 -45.59 85.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.286 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.87 -45.21 86.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.827 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 47.4 mmtm -66.13 -39.69 90.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 -177.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.473 ' O ' HG23 ' B' ' 19' ' ' VAL . 79.1 mt -62.86 -46.55 96.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.786 0.327 . . . . 0.0 110.148 176.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.407 HD23 HG23 ' A' ' 36' ' ' ILE . 82.6 mt -57.63 -41.52 81.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.35 95.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.286 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.446 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.2 mt-10 -68.5 -36.79 79.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.182 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 15' ' ' ILE . 82.1 t -63.76 -45.9 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.283 176.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -63.15 -32.12 73.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.754 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.29 -40.63 96.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.089 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 18' ' ' GLU . 95.0 t -65.66 -36.22 77.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.009 0.433 . . . . 0.0 110.433 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 81.2 mt -62.24 -48.03 81.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.113 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.55 -39.67 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.241 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.78 -22.06 45.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.776 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -124.07 13.25 9.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.53 45.77 27.97 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.507 0.504 . . . . 0.0 111.777 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.05 127.24 31.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.885 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.496 ' HB2' ' HD2' ' B' ' 30' ' ' PRO . 81.2 p -69.6 164.38 50.77 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.304 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.681 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 9.8 Cg_endo -53.8 -47.81 25.18 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.556 2.171 . . . . 0.0 111.907 176.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.97 -50.25 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.415 ' O ' HG13 ' B' ' 36' ' ' ILE . 56.8 tp -59.04 -45.93 89.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.176 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 57.4 m -56.36 -52.8 63.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.493 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' ' 61' ' ' PHE . 6.6 tt -67.76 -35.04 77.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.523 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 31.9 ttp -68.63 -32.82 72.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.914 0.388 . . . . 0.0 110.602 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.457 ' O ' HG13 ' B' ' 40' ' ' ILE . 33.5 mt -62.51 -43.77 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.244 174.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.96 79.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.126 0.488 . . . . 0.0 110.227 175.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.407 ' CA ' ' HE1' ' A' ' 61' ' ' PHE . . . -61.19 -46.51 94.34 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.035 175.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -58.06 -39.75 79.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.606 0.241 . . . . 0.0 110.865 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.596 ' O ' HG23 ' B' ' 44' ' ' VAL . 64.5 mt -58.34 -58.22 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -58.81 -36.95 75.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -59.61 -48.27 82.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -63.36 -35.81 81.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.626 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.664 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 47.2 t -60.25 -52.56 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.026 0.441 . . . . 0.0 110.044 175.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' B' ' 54' ' ' ARG . 82.7 mt -69.54 -13.1 62.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.797 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -99.73 -37.98 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -145.57 31.05 1.08 Allowed 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 118.68 0.673 . . . . 0.0 110.597 -166.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.664 ' HB3' ' HA ' ' B' ' 44' ' ' VAL . 19.9 ttm180 -155.61 -46.47 0.08 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.873 -0.731 . . . . 0.0 112.498 -169.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.501 HG21 HG21 ' B' ' 57' ' ' ILE . 2.6 p -86.02 164.44 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.761 0.315 . . . . 0.0 111.01 -177.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.77 139.5 38.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.521 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.57 74.99 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 122.533 0.333 . . . . 0.0 111.533 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.8 m -69.11 -31.89 70.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.139 0.495 . . . . 0.0 110.968 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.442 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.7 tp-100 -83.66 -16.28 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.019 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.594 ' HG2' HD21 ' A' ' 69' ' ' LEU . 10.9 ttp180 -57.53 -51.96 67.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.018 -167.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -75.05 -32.39 61.52 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.442 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -69.68 -50.95 38.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.501 HG21 HG21 ' B' ' 49' ' ' VAL . 14.7 tt -66.47 -29.43 46.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.01 -41.27 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.823 0.344 . . . . 0.0 110.452 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.57 -42.45 91.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.866 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.6 -42.81 88.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.834 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.429 ' HE1' ' CA ' ' A' ' 38' ' ' GLY . 77.7 t80 -60.95 -54.92 39.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.992 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -58.47 -43.58 88.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.273 -178.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -42.7 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.75 91.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.511 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 22.6 tp -65.99 -36.6 83.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.855 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 30.7 mmt -68.16 -36.91 80.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.889 0.376 . . . . 0.0 110.611 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.9 p -82.81 -7.53 59.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.066 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.6 m -103.39 -2.05 27.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.362 0.601 . . . . 0.0 110.083 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tt -77.16 99.19 5.33 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -113.77 170.89 7.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.819 0.819 . . . . 0.0 112.616 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.8 p -149.95 167.26 13.37 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 114.083 -1.417 . . . . 0.0 108.516 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.75 45.04 0.43 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.781 2.321 . . . . 0.0 112.253 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -104.64 4.49 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.503 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.2 t -68.49 129.65 40.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.355 0.598 . . . . 0.0 110.74 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -134.27 113.21 11.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.395 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt 56.54 79.05 0.19 Allowed 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.753 0.658 . . . . 0.0 111.734 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.13 -175.09 2.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.082 177.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -77.36 -54.81 6.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.535 0.207 . . . . 0.0 111.221 -174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -154.5 144.04 21.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.655 0.264 . . . . 0.0 110.821 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -89.3 43.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.064 0.459 . . . . 0.0 111.379 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -92.12 25.76 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -123.51 146.19 48.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.937 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.242 176.01 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 27.2 ttt . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.5 Cg_exo -74.22 168.1 25.59 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.975 2.45 . . . . 0.0 111.65 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 tp -102.1 110.87 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.163 0.506 . . . . 0.0 110.328 177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.5 m 69.28 75.26 0.24 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.769 0.795 . . . . 0.0 110.099 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -64.57 137.04 57.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.581 -1.191 . . . . 0.0 111.236 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 12.5 mptt -83.34 86.32 7.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.6 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -65.45 178.25 0.99 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.773 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.503 ' HB ' ' HG3' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -57.06 127.27 31.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.052 178.175 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.76 -46.59 77.84 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.83 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' OE1' HG22 ' A' ' 8' ' ' THR . 1.5 pm0 -58.47 -34.07 70.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.408 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.503 ' HG3' ' HB ' ' A' ' 8' ' ' THR . 80.7 mt-30 -66.58 -51.51 55.6 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.69 -53.35 50.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.152 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.37 -50.46 65.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.996 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 47.8 mttm -79.39 -24.08 42.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.611 -169.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 19' ' ' VAL . 79.7 mt -72.05 -42.16 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 172.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.572 HD23 HG23 ' B' ' 36' ' ' ILE . 80.0 mt -56.41 -43.85 79.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.121 173.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.51 -44.34 84.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.341 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 47.2 mt-10 -69.18 -43.23 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.075 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 94.2 t -59.35 -48.23 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.458 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.11 73.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.25 -40.94 90.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.19 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.4 t -60.54 -42.02 89.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.135 0.493 . . . . 0.0 109.986 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 70.4 mt -60.74 -54.1 49.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.29 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.44 -29.34 70.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.84 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.13 -41.08 86.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.089 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -98.58 13.2 32.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.28 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.41 37.16 13.81 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.074 0.464 . . . . 0.0 111.308 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.51 116.72 8.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.112 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.501 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 15.4 m -68.77 161.63 69.89 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.72 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.853 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 6.1 Cg_endo -49.5 -39.26 45.29 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.306 2.67 . . . . 0.0 112.706 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.488 ' CD ' ' HZ1' ' B' ' 6' ' ' LYS . 41.0 mt-10 -60.24 -50.92 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.263 177.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 36' ' ' ILE . 25.0 tp -63.44 -29.31 70.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.7 m -59.25 -56.76 18.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.154 0.502 . . . . 0.0 110.795 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tt -71.53 -27.79 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.494 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 25.9 ttt -60.55 -44.47 96.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.058 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 32' ' ' LEU . 30.1 mm -59.52 -45.13 94.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.328 175.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.79 78.16 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.557 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.62 -38.59 96.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.175 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -66.46 -34.66 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.662 0.268 . . . . 0.0 110.418 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 36' ' ' ILE . 47.1 mm -61.99 -53.85 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.194 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.11 -43.31 82.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.034 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.9 m -63.04 -44.58 95.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -59.53 -41.05 89.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.193 0.521 . . . . 0.0 110.07 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.775 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 98.9 t -61.82 -46.79 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.007 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.509 ' HA ' HG11 ' A' ' 49' ' ' VAL . 95.9 mt -61.15 -26.32 67.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.074 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -73.41 -61.47 1.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.17 -42.61 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -171.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.775 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 13.7 mtt85 -79.87 33.0 0.26 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG11 ' HA ' ' A' ' 45' ' ' LEU . 4.9 p -153.84 168.64 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.481 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.3 150.3 20.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.513 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.06 -59.4 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -70.97 -17.21 62.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.722 ' HG3' HG12 ' A' ' 57' ' ' ILE . 4.1 tp-100 -85.42 -21.46 28.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.57 -176.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 16.7 mtm-85 -53.99 -43.01 69.65 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 30.0 mmtp -64.37 -42.16 96.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.603 0.239 . . . . 0.0 111.396 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -72.19 -45.69 59.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.787 0.327 . . . . 0.0 110.156 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.722 HG12 ' HG3' ' A' ' 53' ' ' GLN . 17.1 mm -56.14 -50.71 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.748 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.13 83.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.664 0.269 . . . . 0.0 111.514 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -67.36 -46.77 72.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.353 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.17 -36.4 84.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.818 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -61.29 -49.94 75.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.395 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -62.99 -43.98 97.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -66.4 -42.82 87.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.747 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.04 -33.74 76.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.574 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.32 -39.78 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.92 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 25.1 mmt -69.96 -33.45 72.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.491 176.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.3 t -71.06 -33.02 69.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.411 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -94.95 6.41 49.14 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.306 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.624 HD13 HD13 ' B' ' 45' ' ' LEU . 64.3 tp -74.52 108.2 7.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.366 177.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.31 103.57 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.299 0.571 . . . . 0.0 109.95 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 29.0 p -88.83 135.68 31.74 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.507 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HG2' ' HB1' ' B' ' 51' ' ' ALA . 35.2 Cg_exo -60.97 -52.89 3.02 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.487 2.125 . . . . 0.0 111.339 178.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -171.85 171.84 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.87 138.41 50.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -81.53 133.73 35.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.002 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.47 108.55 4.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.662 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 6.4 pt-20 -70.98 96.91 1.35 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.485 0.66 . . . . 0.0 110.33 177.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -68.72 -21.0 64.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -136.81 104.76 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -71.0 124.29 24.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.275 0.559 . . . . 0.0 111.368 -175.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -154.98 104.1 2.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.524 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -88.08 140.67 29.25 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.9 p80 . . . . . 0 C--O 1.247 0.944 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 174.897 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.632 0.253 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -86.26 102.24 0.64 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.998 2.465 . . . . 0.0 111.912 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 pt -64.75 -27.41 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 111.146 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -69.2 -27.89 65.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.874 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.4 t -102.41 76.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.378 0.609 . . . . 0.0 110.617 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.488 ' HZ1' ' CD ' ' A' ' 31' ' ' GLU . 35.6 mtmm -98.15 22.34 9.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.379 174.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 4.3 m-85 -118.41 175.57 5.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.91 -177.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.51 ' OG1' ' HB2' ' B' ' 11' ' ' GLN . 82.5 p -83.57 153.71 24.19 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.731 -0.387 . . . . 0.0 109.971 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -62.27 -34.68 77.02 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.664 0.268 . . . . 0.0 110.684 -177.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.679 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 0.5 OUTLIER -72.42 -36.95 68.72 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.609 179.335 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.51 ' HB2' ' OG1' ' B' ' 8' ' ' THR . 51.3 tt0 -56.84 -49.9 74.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.187 0.517 . . . . 0.0 110.855 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.37 -41.66 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.122 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.62 -41.35 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.992 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 32.3 mmtp -63.5 -50.65 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.84 -44.49 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.855 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.54 -43.43 79.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.191 176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.43 98.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.411 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.0 mt-10 -64.05 -48.18 77.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.782 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 93.9 t -60.14 -45.42 95.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.557 178.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.77 86.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.854 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.53 -41.56 97.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.514 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.4 t -62.81 -44.94 99.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.968 0.413 . . . . 0.0 110.119 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 76.0 mt -62.79 -50.19 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.71 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -39.59 94.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.591 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.26 -41.57 99.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.767 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -83.61 -2.32 55.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.398 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.01 46.79 10.47 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.66 0.6 . . . . 0.0 110.695 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 118.96 9.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.26 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.8 p -69.61 161.39 74.55 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.236 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.06 -44.25 43.45 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.962 2.441 . . . . 0.0 112.329 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.47 -54.84 41.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.418 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.408 ' O ' HG13 ' B' ' 36' ' ' ILE . 53.1 tp -59.09 -44.39 91.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.649 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 92.5 m -55.5 -51.99 65.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.66 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.13 -32.72 61.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.71 -175.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttp -64.03 -34.6 78.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.998 0.428 . . . . 0.0 109.923 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.572 HG23 HD23 ' A' ' 16' ' ' LEU . 54.6 mt -62.32 -46.8 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.331 174.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.37 86.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.13 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.43 96.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.251 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -67.17 -40.54 86.62 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 36' ' ' ILE . 87.8 mt -57.86 -52.62 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.487 176.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.54 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.04 -48.08 82.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.147 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 14.8 p -66.19 -34.98 79.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.297 . . . . 0.0 111.405 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -66.71 -37.79 85.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.315 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.573 ' HA ' ' O ' ' B' ' 47' ' ' GLN . 98.8 t -70.38 -36.93 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 110.192 174.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.624 HD13 HD13 ' A' ' 69' ' ' LEU . 95.1 mt -69.4 -11.12 60.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.23 0.538 . . . . 0.0 110.652 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -95.83 -48.46 5.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.101 171.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.573 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 47.8 mt-30 -132.31 137.64 47.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.776 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.853 ' HB3' ' HB3' ' A' ' 30' ' ' PRO . 50.9 mtt180 91.62 14.1 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.931 1.292 . . . . 0.0 111.839 175.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.499 HG11 ' HA ' ' B' ' 45' ' ' LEU . 1.3 p -139.38 147.15 24.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.417 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.6 140.11 51.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.48 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.485 ' HB1' ' HG2' ' A' ' 72' ' ' PRO . . . -61.98 -37.99 86.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.184 176.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -68.48 -33.12 73.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.233 0.54 . . . . 0.0 110.298 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.631 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.3 tp-100 -87.69 -3.51 58.96 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.37 -177.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.594 ' HG3' HD11 ' A' ' 69' ' ' LEU . 16.7 tpp85 -53.73 -65.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -170.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 10.2 tmtt? -75.86 -26.79 57.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.183 0.516 . . . . 0.0 109.924 -175.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 2.9 tt -70.95 -47.28 59.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.828 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.631 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.0 tt -69.21 -33.13 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.435 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.82 95.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.186 0.517 . . . . 0.0 109.987 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -61.84 -47.13 86.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.079 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 29.1 mtpp -60.77 -42.14 96.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.786 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -59.34 -44.87 92.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.055 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.01 90.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.94 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -62.11 -39.96 94.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.989 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.74 91.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.878 0.371 . . . . 0.0 110.722 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.97 -33.96 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.412 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -23.98 62.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 176.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 32.3 t -80.05 -32.37 39.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.769 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 27.4 p -82.61 -25.92 32.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.344 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.34 104.94 0.37 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.55 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -75.6 105.64 6.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.526 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' B' ' 72' ' ' PRO . 6.0 t -99.54 133.11 22.12 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.417 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 71' ' ' THR . 11.3 Cg_exo -71.85 158.8 52.17 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.212 1.941 . . . . 0.0 110.713 172.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 64.21 -157.08 0.31 Allowed 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.55 0.531 . . . . 0.0 110.36 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.1 p -74.6 -70.15 0.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.993 0.425 . . . . 0.0 111.251 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -152.32 -40.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mp -90.82 108.76 20.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.807 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' B' ' 77' ' ' GLU . 1.4 pm0 -75.98 161.69 28.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.082 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' B' ' 77' ' ' GLU . 83.2 t60 75.93 -36.68 0.29 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.198 0.599 . . . . 0.0 111.656 178.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 12.0 t60 61.51 95.99 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.529 0.518 . . . . 0.0 111.168 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -166.05 103.01 0.65 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.259 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -170.33 134.67 1.19 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -84.58 -63.04 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.921 0.391 . . . . 0.0 110.456 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.523 -0.751 . . . . 0.0 109.798 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.5 101.0 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.488 2.125 . . . . 0.0 111.578 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.43 ' H ' HG13 ' A' ' 3' ' ' ILE . 1.3 pp -80.74 70.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.491 0.662 . . . . 0.0 111.943 -177.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.419 HG21 ' HG3' ' B' ' 35' ' ' MET . 5.3 m -92.24 137.72 32.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.805 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -62.94 132.01 50.62 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -81.76 -28.98 33.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -176.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' HB3' ' H ' ' A' ' 8' ' ' THR . 64.0 m-85 57.3 -156.6 0.3 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.33 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.411 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 5.7 m -85.41 125.98 33.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.15 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.38 -55.74 22.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.914 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.0 pm0 -59.41 -36.68 76.31 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.865 -176.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -57.94 -50.59 72.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG22 HD11 ' B' ' 32' ' ' LEU . 61.4 t -63.84 -52.18 60.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.602 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.41 -41.88 97.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.074 -175.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 68.2 mmtt -70.47 -40.57 73.59 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.127 -176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 19' ' ' VAL . 77.1 mt -60.21 -44.96 96.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.158 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.79 -47.22 83.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.952 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.78 89.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.583 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.6 mm-40 -66.41 -53.92 30.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.8 t -56.48 -49.76 75.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.344 -177.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.4 84.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.538 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.18 -40.45 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.697 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 18' ' ' GLU . 95.5 t -62.28 -42.98 97.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.076 0.465 . . . . 0.0 110.362 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 74.0 mt -62.72 -51.61 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.473 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -65.08 -33.32 75.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.543 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -65.06 -38.56 91.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.868 0.366 . . . . 0.0 110.796 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -84.02 5.8 24.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.409 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.3 38.43 19.74 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.242 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 138.32 55.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.815 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -84.84 161.09 54.23 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.53 -34.61 43.07 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.767 2.311 . . . . 0.0 112.731 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -61.53 -44.41 97.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.386 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' O ' HG12 ' A' ' 36' ' ' ILE . 44.5 tp -71.12 -38.67 72.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.413 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.5 m -56.39 -50.5 71.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.316 0.579 . . . . 0.0 110.775 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tt -74.21 -26.86 60.5 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.07 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.1 ttm -63.94 -39.91 95.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.05 0.452 . . . . 0.0 110.149 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 32' ' ' LEU . 36.1 mm -61.93 -46.11 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.841 176.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.91 81.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.785 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.61 -46.98 93.16 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.267 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -57.83 -41.73 82.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.557 0.218 . . . . 0.0 110.646 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 44' ' ' VAL . 75.8 mt -56.53 -60.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.432 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.59 91.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.43 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 85.9 m -60.6 -46.62 89.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -72.2 -30.81 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.706 0.289 . . . . 0.0 110.779 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 70.8 t -62.68 -51.36 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.491 HD13 HD13 ' B' ' 69' ' ' LEU . 82.0 mt -68.74 -11.73 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.189 0.519 . . . . 0.0 110.838 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' A' ' 42' ' ' THR . 1.9 t-20 -90.39 -48.25 7.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.487 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -130.63 -49.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.624 -174.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.577 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 20.0 mtp180 -86.89 40.15 0.89 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -167.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG21 HG21 ' A' ' 57' ' ' ILE . 4.7 p -151.0 151.35 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -70.8 146.11 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.271 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.2 -42.73 81.81 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.157 0.286 . . . . 0.0 111.266 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 m -62.73 -39.64 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.287 0.565 . . . . 0.0 110.588 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 7.9 tp60 -82.97 -10.19 58.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.088 -173.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' HD11 ' B' ' 69' ' ' LEU . 18.9 ttm180 -60.09 -58.14 9.81 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.786 -172.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -34.93 74.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.118 0.485 . . . . 0.0 110.35 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.5 -48.78 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.675 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.524 HG21 HG21 ' A' ' 49' ' ' VAL . 12.4 tt -72.06 -27.8 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.672 -175.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.55 80.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 110.097 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -65.19 -43.74 90.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.769 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -56.39 -52.05 66.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.633 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.521 ' HB2' HD21 ' B' ' 34' ' ' LEU . 65.9 t80 -52.65 -53.92 40.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.928 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.92 73.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.508 -175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -63.03 -40.56 98.1 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.947 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.47 98.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.632 0.253 . . . . 0.0 110.329 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.8 tp -60.22 -42.12 94.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.807 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -14.35 60.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.237 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.1 m -87.71 -36.36 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.773 0.321 . . . . 0.0 110.553 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.3 p -86.96 0.83 54.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.229 0.538 . . . . 0.0 110.747 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.668 HD11 ' HG2' ' B' ' 54' ' ' ARG . 18.3 tp -74.61 118.16 17.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.247 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.14 109.18 13.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.333 0.587 . . . . 0.0 110.594 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 7.8 p -119.95 132.4 24.08 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.631 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 71' ' ' THR . 24.0 Cg_exo -65.41 -24.13 57.55 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.762 2.308 . . . . 0.0 111.67 176.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 71' ' ' THR . 47.7 mttm 66.78 -179.06 0.21 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.205 176.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.4 p -87.15 133.04 33.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.803 0.335 . . . . 0.0 111.477 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 30.9 m170 -85.53 146.41 26.93 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 9.6 mp 67.42 96.15 0.06 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.935 0.772 . . . . 0.0 109.906 -174.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 72.77 155.47 0.16 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.866 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -85.69 6.76 26.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.351 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.76 82.81 1.09 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.749 0.785 . . . . 0.0 109.361 172.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -81.91 38.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.789 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.94 167.4 21.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.376 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -80.77 79.23 7.45 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.052 -175.489 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.47 108.38 2.51 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.724 2.283 . . . . 0.0 112.486 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.1 tt -79.47 -38.33 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.031 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.604 HG22 ' H ' ' B' ' 5' ' ' SER . 0.2 OUTLIER -75.29 -167.19 0.6 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -178.018 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.604 ' H ' HG22 ' B' ' 4' ' ' THR . 12.9 m -53.07 135.26 37.63 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.905 0.383 . . . . 0.0 110.985 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' B' ' 6' ' ' LYS . 12.7 mptt -83.91 85.42 7.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.248 0.547 . . . . 0.0 110.992 -175.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' B' ' 5' ' ' SER . 76.8 m-85 -88.63 159.83 17.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.43 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -59.68 131.32 50.55 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -56.59 -39.87 74.27 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.943 -176.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -53.33 -47.42 69.34 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.22 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -57.01 -52.06 66.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.669 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -58.59 -55.06 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.298 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.74 -43.97 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.626 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -77.16 -27.0 53.63 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.606 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.406 ' O ' HG23 ' B' ' 19' ' ' VAL . 70.5 mt -69.97 -41.39 79.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 171.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.28 -37.69 75.5 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.322 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.93 96.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.05 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HG23 ' B' ' 22' ' ' VAL . 42.9 mt-10 -63.99 -41.18 97.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.446 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.491 HG13 HG22 ' A' ' 19' ' ' VAL . 96.4 t -64.48 -42.42 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.751 177.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.51 -37.55 78.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.131 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -67.87 -34.97 77.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.642 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 18' ' ' GLU . 64.2 t -62.83 -40.39 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.083 0.468 . . . . 0.0 109.791 174.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 71.0 mt -66.21 -40.98 90.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.362 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.68 -41.9 82.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.244 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -72.93 3.11 5.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.976 0.417 . . . . 0.0 111.185 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -131.32 5.2 4.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.18 172.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 45.18 51.91 8.87 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 123.99 0.806 . . . . 0.0 112.122 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.532 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -57.61 117.56 4.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.216 -178.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -70.27 162.06 72.11 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.229 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.36 -51.02 11.91 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.042 2.495 . . . . 0.0 113.958 -175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -64.04 -37.87 88.99 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' B' ' 28' ' ' ALA . 52.5 tp -64.47 -45.43 87.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.197 176.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -54.62 -52.73 61.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.377 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 61' ' ' PHE . 7.3 tt -73.71 -32.27 63.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -175.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.419 ' HG3' HG21 ' A' ' 4' ' ' THR . 1.3 ttm -62.18 -42.02 98.88 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 175.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.626 ' O ' HG12 ' B' ' 40' ' ' ILE . 36.8 mt -60.45 -44.36 96.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.593 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.87 88.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.945 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.44 -37.87 94.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.109 -0.567 . . . . 0.0 111.884 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -65.26 -41.42 94.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.626 HG12 ' O ' ' B' ' 36' ' ' ILE . 49.6 mm -53.69 -57.58 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.15 175.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.09 -49.8 74.75 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 91.4 m -53.72 -55.57 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.849 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -68.56 -38.24 80.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.361 . . . . 0.0 110.774 -173.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.12 -42.64 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.976 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 80.9 mt -65.25 -42.49 93.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.85 0.357 . . . . 0.0 111.424 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -80.15 -19.01 48.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -174.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -115.0 -60.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -86.39 -34.49 20.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -164.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' B' ' 45' ' ' LEU . 1.2 p -87.54 163.84 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.687 -176.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.06 134.95 44.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.89 67.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.613 0.244 . . . . 0.0 111.299 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.4 m -62.99 -35.35 79.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.193 0.52 . . . . 0.0 110.572 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.519 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 6.0 tp-100 -83.93 -22.94 31.34 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.179 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.668 ' HG2' HD11 ' A' ' 69' ' ' LEU . 39.3 ttm180 -48.31 -56.34 8.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.972 -167.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' B' ' 55' ' ' LYS . 12.5 tptm -74.55 -35.35 63.09 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.092 -176.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.54 -49.38 66.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.519 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 15.8 tt -65.24 -30.42 50.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.038 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.13 -44.61 75.71 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.962 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.33 -46.56 88.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' B' ' 57' ' ' ILE . 27.7 mtpp -54.69 -47.3 73.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.369 0.604 . . . . 0.0 110.253 175.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.424 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 56.9 t80 -62.74 -51.5 66.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.306 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.578 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.5 -44.45 93.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -51.77 68.01 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.57 77.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.76 -43.68 88.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.7 mmt -69.6 -29.9 67.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.878 0.37 . . . . 0.0 110.595 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.0 t -73.74 -26.54 60.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.984 0.421 . . . . 0.0 110.065 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 39.5 m -90.61 -7.9 51.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.585 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.491 HD13 HD13 ' A' ' 45' ' ' LEU . 61.0 tp -61.79 108.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.762 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -96.57 95.59 8.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.225 0.536 . . . . 0.0 111.163 -175.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 33.9 m -107.54 133.46 20.39 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.541 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.21 130.15 27.6 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.885 2.39 . . . . 0.0 112.205 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -111.46 111.23 22.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.856 -174.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.446 ' HB ' ' OE1' ' B' ' 77' ' ' GLU . 40.2 p -69.19 147.11 51.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.012 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 179.23 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.23 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.811 HD23 ' H ' ' B' ' 76' ' ' LEU . 2.0 pt? -87.9 -16.73 33.1 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -170.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 77' ' ' GLU . 0.9 OUTLIER -78.29 -14.58 59.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.116 0.484 . . . . 0.0 110.317 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -77.09 79.34 3.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.741 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.94 146.26 50.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.876 -176.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -136.82 131.14 32.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.512 175.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 13.7 t60 64.48 -75.2 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.001 -173.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -161.36 9.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.368 0.604 . . . . 0.0 109.41 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.392 -176.452 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.518 ' HB3' HG12 ' A' ' 3' ' ' ILE . 68.3 mtt . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.745 0.307 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -86.41 34.48 0.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 123.017 2.478 . . . . 0.0 112.02 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.756 HG13 ' H ' ' A' ' 4' ' ' THR . 7.1 pt -79.08 -88.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.343 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.756 ' H ' HG13 ' A' ' 3' ' ' ILE . 18.4 m -86.19 129.28 34.9 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.132 0.491 . . . . 0.0 110.477 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -153.71 167.99 27.76 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -75.02 -15.43 60.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 56.95 -154.73 0.34 Allowed 'General case' 0 C--N 1.341 0.214 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.473 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 11' ' ' GLN . 15.3 t -91.09 137.15 32.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 170.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.21 -43.68 78.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -169.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.89 -12.92 61.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.503 ' O ' HD13 ' A' ' 15' ' ' ILE . 53.6 tt0 -71.0 -60.13 2.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.76 -44.05 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.578 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.11 -43.91 82.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.451 -177.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.57 -34.9 58.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.552 -174.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 HD13 ' O ' ' A' ' 11' ' ' GLN . 1.8 mp -63.98 -47.15 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.655 173.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.419 HD23 HG23 ' B' ' 36' ' ' ILE . 79.1 mt -59.53 -41.63 90.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.197 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.65 73.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.387 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 22' ' ' VAL . 37.1 mt-10 -67.06 -39.15 86.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.824 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 72.8 t -65.03 -45.52 94.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.804 0.335 . . . . 0.0 110.998 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.88 85.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 0.0 110.779 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.72 -38.26 90.45 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.044 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.0 t -59.73 -42.83 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.225 0.536 . . . . 0.0 110.189 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 HG23 ' A' ' 33' ' ' THR . 53.6 mt -61.38 -45.96 92.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.484 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.3 -37.25 74.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.887 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.71 -35.75 80.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.33 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -95.83 2.45 53.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.907 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.63 48.04 23.39 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.577 0.548 . . . . 0.0 110.858 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.87 123.85 22.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.991 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -62.64 157.53 57.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.295 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.5 -45.88 37.84 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.659 2.24 . . . . 0.0 112.668 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.569 ' HB2' ' HA ' ' B' ' 4' ' ' THR . 8.0 pt-20 -62.91 -45.15 93.85 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.068 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HB2' ' CE2' ' B' ' 7' ' ' TYR . 44.2 tp -60.23 -45.34 93.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.692 0.282 . . . . 0.0 110.348 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.493 HG23 HD13 ' A' ' 23' ' ' LEU . 93.9 m -56.78 -54.69 43.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.753 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.525 ' HB2' HG11 ' B' ' 44' ' ' VAL . 6.4 tt -69.95 -33.27 71.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.771 -175.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttp -64.72 -37.12 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.064 0.459 . . . . 0.0 110.36 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.595 ' O ' HG12 ' A' ' 40' ' ' ILE . 36.4 mt -59.97 -45.83 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.589 175.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.28 78.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.031 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.99 -36.45 90.97 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.097 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -68.24 -33.13 73.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 36' ' ' ILE . 51.1 mm -59.56 -52.38 61.59 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.86 -42.95 80.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.782 176.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.7 m -62.13 -42.99 99.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -60.47 -41.98 95.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.216 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.044 ' HA ' ' HB3' ' A' ' 48' ' ' ARG . 97.2 t -59.27 -52.85 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.931 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 38.6 mt -63.53 -14.69 53.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.546 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HB3' ' HG3' ' A' ' 47' ' ' GLN . 3.1 m-80 -90.38 -57.63 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 44.7 mt-30 -132.41 7.53 4.21 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.724 -168.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 1.044 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 11.9 ttt85 -133.77 23.15 3.94 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.708 -165.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 57' ' ' ILE . 8.7 p -160.02 158.55 2.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.292 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -75.83 141.55 42.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.498 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -36.15 78.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -66.29 -15.18 63.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.139 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -111.08 -4.88 14.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.698 -169.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.521 HH11 ' HB3' ' B' ' 72' ' ' PRO . 99.4 mtt180 -68.27 -35.75 78.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -169.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -74.47 -46.84 37.01 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.331 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.8 -49.08 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.314 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.537 HG21 HG21 ' A' ' 49' ' ' VAL . 13.8 tt -70.38 -29.4 38.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.213 -173.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.73 70.85 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.956 0.408 . . . . 0.0 110.642 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 70.3 mt-10 -68.64 -40.44 80.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.792 178.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' A' ' 57' ' ' ILE . 28.4 ttpp -56.53 -39.57 73.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.303 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' B' ' 34' ' ' LEU . 88.5 t80 -60.26 -54.77 41.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.754 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.74 80.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.423 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 59' ' ' GLU . 88.0 mm-40 -58.16 -41.62 84.19 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.046 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.28 82.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.864 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.6 tp -64.91 -42.82 94.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.86 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -71.36 -24.65 62.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 179.364 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.3 m -73.96 -26.67 60.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.005 0.431 . . . . 0.0 110.39 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -101.14 10.15 41.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.23 0.538 . . . . 0.0 111.281 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.696 HD13 HD13 ' B' ' 45' ' ' LEU . 53.1 tp -84.77 14.94 4.22 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 -178.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 67.58 -69.38 0.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.73 -173.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.633 HG22 ' HG2' ' A' ' 73' ' ' LYS . 26.7 m 62.93 91.58 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.239 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.694 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.58 84.39 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.566 2.177 . . . . 0.0 112.664 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.736 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 11.0 mmpt? -105.34 120.54 41.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.217 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -77.74 153.67 32.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -56.12 -40.56 73.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.07 95.43 4.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.346 0.593 . . . . 0.0 109.463 171.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -98.53 -101.15 0.21 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.028 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.8 m170 66.3 -43.19 0.4 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.094 0.558 . . . . 0.0 111.829 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -73.58 80.92 1.49 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -77.71 -23.33 49.5 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.026 -177.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -76.37 64.36 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.318 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 70.18 112.85 0.05 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.188 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.7 p80 . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.117 175.062 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.454 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 63.9 mtt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 8.6 Cg_exo -71.78 106.3 1.96 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.934 2.423 . . . . 0.0 113.087 -174.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 tt -67.9 141.55 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 168.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.569 ' HA ' ' HB2' ' A' ' 31' ' ' GLU . 23.2 m 69.93 90.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.806 0.812 . . . . 0.0 109.26 -172.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.7 p -85.19 160.35 19.92 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.743 -1.117 . . . . 0.0 113.298 -167.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -78.15 70.55 4.53 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.501 169.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.588 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 80.0 m-85 -48.7 159.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.581 172.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -48.94 120.12 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.501 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -52.68 -41.16 63.61 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.715 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -56.38 -39.82 73.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.441 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -66.85 -52.18 46.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.634 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.432 HG22 HD11 ' A' ' 32' ' ' LEU . 58.4 t -60.35 -45.97 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.491 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.84 -42.52 93.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -45.61 91.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.845 -176.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.439 ' O ' HG23 ' B' ' 19' ' ' VAL . 54.5 mt -64.72 -43.94 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.166 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.587 HD23 HG23 ' A' ' 36' ' ' ILE . 91.2 mt -56.69 -46.74 80.99 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -56.84 -46.36 81.77 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.97 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.5 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.1 mt-10 -68.79 -41.53 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.121 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 15' ' ' ILE . 70.7 t -60.23 -45.44 96.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.901 0.381 . . . . 0.0 110.518 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -36.38 83.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.713 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 48.9 mt -67.66 -29.72 69.07 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.509 178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 18' ' ' GLU . 93.7 t -66.02 -35.44 75.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.48 0.657 . . . . 0.0 109.584 175.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.471 HD13 HG23 ' B' ' 33' ' ' THR . 79.3 mt -71.52 -46.24 60.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.229 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -27.24 68.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 86.4 tttt -63.57 -41.54 98.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.319 178.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -102.77 10.79 38.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.453 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.33 47.8 13.41 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.345 0.593 . . . . 0.0 111.011 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.59 135.59 45.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.463 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' B' ' 30' ' ' PRO . 68.2 p -69.61 163.57 58.19 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.519 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.438 ' O ' ' HB ' ' B' ' 33' ' ' THR . 10.9 Cg_endo -56.08 -42.72 63.62 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.467 2.112 . . . . 0.0 111.605 174.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.599 ' OE2' ' HB ' ' A' ' 3' ' ' ILE . 5.2 mm-40 -62.84 -48.6 78.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.07 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.635 ' O ' HG12 ' B' ' 36' ' ' ILE . 55.0 tp -59.2 -43.43 92.25 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.471 HG23 HD13 ' B' ' 23' ' ' LEU . 54.4 m -51.71 -55.7 18.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.255 176.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 61' ' ' PHE . 8.2 tt -68.92 -33.96 74.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.804 -176.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.3 ttp -68.2 -34.01 75.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.417 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.635 HG12 ' O ' ' B' ' 32' ' ' LEU . 24.9 mm -61.92 -44.55 99.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 174.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.8 -41.71 78.24 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.414 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.0 -46.84 93.77 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.924 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.85 -36.03 80.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 111.065 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.519 ' O ' HG23 ' B' ' 44' ' ' VAL . 81.5 mt -60.27 -55.45 24.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.29 -39.52 79.52 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.562 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.4 m -55.53 -54.35 45.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -58.73 -42.49 88.86 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.028 0.442 . . . . 0.0 110.318 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.623 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 42.1 t -61.58 -41.49 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.98 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.696 HD13 HD13 ' A' ' 69' ' ' LEU . 97.4 mt -76.85 -4.09 41.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.518 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -99.47 -61.97 1.3 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.924 0.392 . . . . 0.0 110.716 175.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -104.14 -39.66 6.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.243 -171.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.623 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 46.8 mtt180 -90.08 17.48 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -170.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.51 HG21 HG21 ' B' ' 57' ' ' ILE . 4.4 p -139.96 158.65 26.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.523 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 147.25 28.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.564 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.31 -41.25 84.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.572 0.225 . . . . 0.0 111.225 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 26.5 t -66.73 -23.34 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.792 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.412 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.9 tp-100 -95.13 -19.32 20.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 -176.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 69' ' ' LEU . 25.1 ttm-85 -53.3 -56.18 18.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.35 -169.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' B' ' 59' ' ' GLU . 11.3 tptm -67.33 -44.22 79.66 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.904 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.98 -51.39 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.391 -175.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.51 HG21 HG21 ' B' ' 49' ' ' VAL . 16.0 tt -67.82 -31.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.022 -176.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.61 67.94 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.891 0.377 . . . . 0.0 110.703 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.474 ' HB2' ' HE2' ' B' ' 55' ' ' LYS . 35.4 tt0 -63.7 -50.33 69.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.834 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -58.61 -39.42 80.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.133 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -59.4 -47.82 83.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.008 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.48 -48.75 80.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.443 . . . . 0.0 110.579 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.77 -39.11 87.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.442 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.57 78.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.262 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 38.6 tp -61.28 -43.3 99.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.028 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -21.47 61.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.519 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -81.41 -34.39 31.59 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.9 t -72.03 -31.84 66.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.875 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.514 HD13 HD13 ' A' ' 45' ' ' LEU . 6.1 tp -59.76 118.75 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.999 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -102.46 144.28 31.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 9.0 t -48.64 135.23 13.42 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.644 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.521 ' HB3' HH11 ' A' ' 54' ' ' ARG . 74.5 Cg_endo -74.15 35.7 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.493 2.795 . . . . 0.0 113.833 -174.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.42 -52.58 21.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 17.7 p 44.0 77.67 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.308 0.643 . . . . 0.0 112.498 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -117.17 111.11 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.603 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.8 mt 57.68 77.08 0.29 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.851 0.719 . . . . 0.0 111.832 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.63 113.61 20.97 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -161.32 124.24 3.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.772 -175.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -62.4 137.37 58.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.012 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -90.95 -23.8 20.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -77.25 113.78 15.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.393 172.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -57.96 -62.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.373 0.421 . . . . 0.0 111.494 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.1 t60 . . . . . 0 C--O 1.244 0.769 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.607 -179.429 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.65 -29.94 42.81 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.714 2.276 . . . . 0.0 112.568 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.553 HD12 ' HD2' ' A' ' 60' ' ' LYS . 1.6 mm -77.95 115.05 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.669 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.842 HG23 ' HB3' ' B' ' 31' ' ' GLU . 96.9 m 74.11 -40.27 0.45 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.987 -1.006 . . . . 0.0 113.357 168.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.571 ' HA ' ' HE1' ' B' ' 35' ' ' MET . 37.2 t -87.32 99.91 12.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.36 0.6 . . . . 0.0 111.868 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -136.28 19.97 3.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.779 170.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.419 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 58.7 m-85 -92.58 -175.19 3.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.242 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -79.98 132.26 35.99 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.782 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -60.33 -37.84 81.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.068 0.461 . . . . 0.0 110.561 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.8 -47.0 87.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.768 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 15' ' ' ILE . 34.0 mt-30 -63.63 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.884 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.57 -50.39 80.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.8 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -69.08 -27.08 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.16 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.32 -43.92 59.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.517 0.199 . . . . 0.0 110.854 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 11' ' ' GLN . 76.1 mt -65.07 -44.62 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.31 -41.64 80.27 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.983 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.11 70.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 22' ' ' VAL . 44.7 mt-10 -63.94 -42.32 97.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.27 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 74.3 t -63.26 -49.76 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 110.982 178.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.58 -31.68 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.943 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.08 -44.27 89.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.41 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 18' ' ' GLU . 88.2 t -60.94 -41.02 87.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.025 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD13 HG23 ' A' ' 33' ' ' THR . 73.3 mt -63.21 -49.34 74.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.556 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.72 -44.03 97.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.662 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.41 -33.73 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.119 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -88.02 5.69 39.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.152 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.91 37.77 21.41 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.607 0.567 . . . . 0.0 111.317 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.525 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -64.99 117.72 8.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.235 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.524 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 16.0 m -76.69 162.91 68.8 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.418 176.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 4.6 Cg_endo -46.16 -50.13 10.44 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.373 2.715 . . . . 0.0 113.259 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.545 ' HB2' ' OH ' ' B' ' 7' ' ' TYR . 4.3 mm-40 -54.93 -50.85 67.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' O ' HG12 ' A' ' 36' ' ' ILE . 46.0 tp -64.09 -39.8 94.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.707 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.526 HG23 HD13 ' A' ' 23' ' ' LEU . 35.0 m -59.78 -46.54 88.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.83 -178.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.432 HD22 HG12 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -70.44 -34.42 72.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.486 178.449 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -58.05 -43.38 86.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.931 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.566 HG12 ' O ' ' A' ' 32' ' ' LEU . 43.8 mm -58.28 -51.37 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.218 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.58 87.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.317 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.64 -44.04 95.87 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.692 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -63.53 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.889 -0.183 . . . . 0.0 110.892 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 36' ' ' ILE . 92.9 mt -56.67 -58.93 3.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.077 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.06 86.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.152 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -58.07 -51.6 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.109 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -60.77 -40.81 93.92 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.041 0.448 . . . . 0.0 110.602 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 40' ' ' ILE . 86.6 t -62.14 -47.31 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 58' ' ' ALA . 7.2 mp -71.05 -13.26 61.92 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.804 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -85.69 -47.12 10.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.805 0.336 . . . . 0.0 111.084 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -115.6 -44.67 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -172.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HB2' HG13 ' A' ' 44' ' ' VAL . 37.3 mmt180 -90.35 -8.21 51.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -164.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.521 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 1.4 p -110.74 162.29 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.484 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.96 139.43 42.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.581 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.59 -47.19 40.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.344 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 p -78.8 -20.92 48.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.63 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.529 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 7.8 tp60 -78.46 -22.64 47.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.499 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 13.5 mtm180 -50.63 -54.31 23.84 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -173.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -63.69 -41.83 98.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.939 0.399 . . . . 0.0 110.434 -175.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.34 -50.68 29.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.684 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.529 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 9.4 tt -66.54 -33.29 62.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.529 0.204 . . . . 0.0 111.109 -174.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.652 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -68.11 -47.62 67.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.205 0.526 . . . . 0.0 110.561 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.62 -40.35 88.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.057 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.553 ' HD2' HD12 ' A' ' 3' ' ' ILE . 37.8 ttpt -56.75 -48.1 78.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.304 175.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.791 ' HE2' ' HE1' ' B' ' 61' ' ' PHE . 90.4 t80 -61.83 -46.88 87.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.167 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.6 99.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.112 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -67.73 -34.87 77.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.63 -32.41 73.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 110.79 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.4 tp -73.84 -31.51 63.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.418 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.7 mmt -81.67 -20.88 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.372 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 p -88.08 -24.07 23.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.905 0.384 . . . . 0.0 110.629 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.2 p -92.71 5.35 51.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.269 0.556 . . . . 0.0 109.915 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.692 HD11 ' HG2' ' B' ' 54' ' ' ARG . 52.3 tp -75.82 97.87 4.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.551 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.99 101.48 8.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.319 0.58 . . . . 0.0 111.293 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 5.6 p -78.5 166.63 41.45 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.801 173.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 51.9 Cg_exo -54.91 102.69 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.565 2.176 . . . . 0.0 112.541 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 71' ' ' THR . 34.2 mmtp -98.26 92.25 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.728 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.2 p -79.22 -50.4 11.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.7 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -83.84 -31.88 25.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.4 mp -87.3 93.75 9.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.172 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -85.21 101.29 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.584 0.707 . . . . 0.0 110.712 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -86.81 54.88 3.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.941 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -85.05 71.7 10.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -94.98 111.53 23.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -86.71 108.36 18.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.783 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -112.35 -25.54 9.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 168.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.252 176.623 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -76.6 83.84 1.99 Allowed 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.388 2.059 . . . . 0.0 111.636 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.3 tt -84.05 -44.96 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.262 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.425 HG22 ' HB3' ' A' ' 31' ' ' GLU . 4.8 m -154.1 159.36 41.46 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -52.7 131.19 34.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.111 0.481 . . . . 0.0 111.178 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -81.23 89.19 6.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.276 0.56 . . . . 0.0 111.829 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.545 ' OH ' ' HB2' ' A' ' 31' ' ' GLU . 55.0 m-85 -79.4 -172.83 3.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.761 168.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.7 OUTLIER -72.12 123.74 23.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 110.849 175.602 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.3 -41.42 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.513 -176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 46.6 mt-10 -67.02 -40.34 87.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.491 ' O ' HG13 ' B' ' 15' ' ' ILE . 6.1 tp-100 -57.07 -46.44 82.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.017 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 32' ' ' LEU . 59.1 t -57.7 -47.41 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.426 178.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.06 -38.44 91.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.332 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 74.8 mmtt -66.14 -46.24 78.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.689 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 11' ' ' GLN . 67.6 mt -60.06 -43.06 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.437 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.42 HD23 HG23 ' A' ' 36' ' ' ILE . 93.1 mt -56.44 -43.28 79.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.0 90.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.5 mt-10 -66.54 -42.45 87.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.087 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.44 HG11 HD11 ' A' ' 40' ' ' ILE . 72.4 t -62.77 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.757 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.17 -32.93 74.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 tp -66.61 -37.66 85.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.951 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 18' ' ' GLU . 66.7 t -59.77 -42.3 88.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.33 0.586 . . . . 0.0 109.69 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.529 HD13 HG23 ' B' ' 33' ' ' THR . 48.7 mt -65.95 -41.87 90.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.161 177.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.68 -53.78 45.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.23 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -61.23 -27.22 68.28 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -95.06 2.56 55.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.294 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 53.26 47.43 24.34 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.492 0.495 . . . . 0.0 111.716 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.73 139.39 56.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.562 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -86.89 161.37 47.45 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.001 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.29 -51.32 9.69 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.306 2.671 . . . . 0.0 113.824 -177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.842 ' HB3' HG23 ' A' ' 4' ' ' THR . 29.7 mm-40 -57.86 -50.71 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.928 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.549 ' O ' HG12 ' B' ' 36' ' ' ILE . 42.9 tp -59.32 -34.52 72.43 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.758 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.529 HG23 HD13 ' B' ' 23' ' ' LEU . 56.0 m -61.36 -50.8 71.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.994 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.44 -26.14 61.72 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.983 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.571 ' HE1' ' HA ' ' A' ' 5' ' ' SER . 37.8 ttm -59.8 -42.58 93.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.549 HG12 ' O ' ' B' ' 32' ' ' LEU . 47.6 mm -61.22 -50.72 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.362 176.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 -49.37 77.33 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.405 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.21 -50.75 54.64 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.233 -0.508 . . . . 0.0 113.072 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.54 -35.21 73.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.856 0.328 . . . . 0.0 111.247 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 36' ' ' ILE . 65.0 mt -59.14 -53.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 175.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.609 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -60.34 -48.1 83.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.978 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.2 m -58.33 -42.04 85.92 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.556 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -64.06 -40.7 96.86 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.605 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' B' ' 47' ' ' GLN . 62.7 t -71.28 -34.17 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.821 0.343 . . . . 0.0 110.709 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.8 mt -61.85 -29.57 70.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.226 175.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -86.86 -46.19 10.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.292 0.567 . . . . 0.0 110.277 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.548 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 45.3 mt-30 -124.51 126.79 46.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.508 -175.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' B' ' 47' ' ' GLN . 58.0 mtm180 94.72 14.19 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.864 1.265 . . . . 0.0 112.088 175.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.53 HG21 HG21 ' B' ' 57' ' ' ILE . 1.4 p -140.48 153.69 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.317 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.37 147.25 38.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.18 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.12 75.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.726 0.298 . . . . 0.0 111.172 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.2 p -69.12 -42.84 75.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.0 110.707 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.468 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 7.8 tp60 -66.98 -26.86 67.02 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.601 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.692 ' HG2' HD11 ' A' ' 69' ' ' LEU . 33.0 ttm180 -49.06 -53.79 18.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.717 -172.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmpt? -69.45 -41.36 76.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.912 0.387 . . . . 0.0 110.401 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.58 -45.87 74.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.687 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.53 HG21 HG21 ' B' ' 49' ' ' VAL . 15.4 tt -70.17 -31.91 49.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.711 -176.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.55 73.41 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.07 0.462 . . . . 0.0 110.232 175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -72.44 -39.86 67.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.113 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -54.61 -47.62 73.18 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.159 172.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.791 ' HE1' ' HE2' ' A' ' 61' ' ' PHE . 52.7 t80 -54.78 -54.35 43.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.62 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -62.15 -46.26 89.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.416 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.59 -46.45 85.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.6 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.83 89.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.37 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.31 -42.21 98.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.867 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 17.7 mmt -76.71 -20.15 56.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.335 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 58.4 m -82.87 -23.83 33.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.595 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.7 p -94.32 -3.82 49.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.241 0.543 . . . . 0.0 110.188 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.424 HD13 HD23 ' A' ' 45' ' ' LEU . 51.1 tp -75.18 112.49 11.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.886 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.34 114.1 20.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.441 0.638 . . . . 0.0 110.591 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 11.3 m -97.86 134.61 22.1 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.727 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -55.09 -30.78 72.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.983 2.456 . . . . 0.0 112.719 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.414 ' HB3' ' H ' ' B' ' 74' ' ' THR . 28.1 mtpp 60.05 -154.85 0.36 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.278 177.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' B' ' 73' ' ' LYS . 4.5 p -82.01 21.54 0.87 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.957 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -80.37 -8.37 59.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.097 0.475 . . . . 0.0 109.784 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.436 HD12 ' O ' ' B' ' 76' ' ' LEU . 3.2 pp -63.21 142.78 58.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.2 176.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -97.69 127.79 43.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.036 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -94.57 84.21 4.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.733 0.778 . . . . 0.0 109.599 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -102.39 -31.24 10.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.355 -174.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -84.01 108.84 17.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.6 0.714 . . . . 0.0 109.878 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -124.5 -21.81 4.8 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.923 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.97 -28.27 0.69 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.396 0.617 . . . . 0.0 109.702 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.095 -0.955 . . . . 0.0 108.901 172.606 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.96 -174.11 2.11 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.63 2.22 . . . . 0.0 112.246 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.425 HD11 ' HE3' ' A' ' 60' ' ' LYS . 45.2 pt -72.24 -24.12 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.16 0.505 . . . . 0.0 110.674 177.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 m -75.48 103.41 5.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.843 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 m -76.39 147.69 37.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.662 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HE3' ' OD1' ' A' ' 9' ' ' ASP . 40.2 tttp -88.74 -14.35 37.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.688 -177.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.532 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 92.7 m-85 61.48 -169.21 0.17 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.571 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.508 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 23.6 p -75.12 131.59 40.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.401 ' OD1' ' HE3' ' A' ' 6' ' ' LYS . 33.0 m-20 -58.68 -46.77 86.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -171.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -57.64 -48.01 80.64 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 123.224 0.328 . . . . 0.0 110.472 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 15' ' ' ILE . 58.6 tt0 -53.58 -55.08 28.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.04 -45.84 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.989 0.423 . . . . 0.0 111.104 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -69.13 -35.29 76.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.02 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 5.9 mptp? -71.03 -40.03 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 11' ' ' GLN . 82.1 mt -62.4 -41.32 91.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.71 -40.13 86.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.655 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.36 87.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 48.2 mt-10 -64.81 -45.09 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.197 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' HD13 ' A' ' 23' ' ' LEU . 98.8 t -61.72 -45.07 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.25 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.036 0.446 . . . . 0.0 111.021 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -64.83 -34.96 79.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.104 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 18' ' ' GLU . 85.3 t -68.87 -39.37 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.297 0.57 . . . . 0.0 109.969 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 19' ' ' VAL . 3.9 mp -60.7 -49.0 79.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.134 176.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.07 -39.78 93.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.576 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -54.15 -42.14 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.837 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -105.32 7.5 33.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.533 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.67 47.37 10.64 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.135 0.493 . . . . 0.0 111.134 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.57 121.34 15.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.284 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.496 ' OG ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 t -77.04 152.59 82.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.817 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.496 ' HD2' ' OG ' ' A' ' 29' ' ' SER . 1.6 Cg_endo -45.82 -40.71 19.79 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.93 3.087 . . . . 0.0 114.128 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 1.7 mp0 -60.22 -45.64 92.51 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.301 0.572 . . . . 0.0 109.702 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.8 -37.42 87.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.112 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 m -56.29 -52.81 63.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.254 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.4 -23.82 57.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.964 0.411 . . . . 0.0 110.248 -177.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.8 ttm -62.72 -48.06 80.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.261 0.553 . . . . 0.0 109.741 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.5 mt -60.25 -40.87 85.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.096 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.55 79.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.951 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.43 -37.56 79.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.123 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -62.04 -42.87 99.64 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.495 ' O ' HG23 ' A' ' 44' ' ' VAL . 85.4 mt -58.42 -56.06 18.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.398 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.665 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -54.04 -52.83 59.61 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.424 -177.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.2 m -59.88 -45.72 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.418 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -64.1 -36.67 84.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.808 0.337 . . . . 0.0 110.807 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 40' ' ' ILE . 83.2 t -64.6 -42.0 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 175.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 76.6 mt -62.59 -33.6 75.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.539 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.24 -56.11 6.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.247 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -100.95 -39.59 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -165.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 48' ' ' ARG . 48.6 mtt180 -108.04 19.48 19.94 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -164.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 57' ' ' ILE . 3.1 p -144.27 158.96 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.245 176.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.17 144.48 48.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.94 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.94 -44.65 70.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.688 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.4 m -73.43 -20.0 60.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.368 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -85.76 -19.41 30.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.366 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.813 ' HB3' HD11 ' B' ' 69' ' ' LEU . 88.0 mtt180 -51.94 -47.03 64.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.995 -175.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.733 ' HA ' HD21 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -60.82 -54.84 40.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.4 -52.79 63.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.814 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.508 HG21 HG21 ' A' ' 49' ' ' VAL . 11.6 tt -69.76 -24.65 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.383 -171.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.74 -42.95 57.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 110.646 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 55' ' ' LYS . 42.1 mt-10 -71.17 -33.02 69.62 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 3' ' ' ILE . 49.7 tttm -53.43 -42.05 66.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.165 172.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.477 ' HB2' HD21 ' B' ' 34' ' ' LEU . 80.7 t80 -64.18 -53.21 52.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.784 176.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 66' ' ' MET . . . -62.8 -42.97 99.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.049 -174.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.54 -37.73 85.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.69 0.281 . . . . 0.0 110.792 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.39 82.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.014 0.435 . . . . 0.0 110.111 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.4 tp -63.98 -41.11 97.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.795 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -65.81 -28.92 69.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.672 -178.59 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 m -85.71 -25.38 26.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.844 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -89.08 5.59 43.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.386 0.612 . . . . 0.0 110.449 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt -80.88 109.65 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.382 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -100.31 158.2 16.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.215 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.7 m -136.77 101.43 9.65 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.884 0.374 . . . . 0.0 110.694 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -81.03 117.03 3.17 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.532 2.821 . . . . 0.0 111.394 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -86.41 170.24 12.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.2 p -93.44 -52.95 4.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.883 0.373 . . . . 0.0 111.407 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -130.7 168.04 17.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 tp -92.36 157.38 16.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.121 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.48 159.38 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.084 0.468 . . . . 0.0 111.676 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -76.89 112.33 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.756 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -81.82 -28.03 33.32 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.307 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -150.07 174.97 12.16 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.237 171.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -84.68 106.29 16.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -135.75 12.4 3.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.442 0.639 . . . . 0.0 109.57 171.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.585 177.845 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -70.31 117.68 5.25 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.149 1.899 . . . . 0.0 111.639 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -62.83 -35.64 71.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.065 0.46 . . . . 0.0 110.616 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m -99.22 99.54 10.52 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.328 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 14.5 m -69.79 155.86 39.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.259 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.52 ' HZ2' ' HB3' ' B' ' 6' ' ' LYS . 4.9 mmmp? -77.28 -24.08 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.027 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' B' ' 5' ' ' SER . 29.4 m-85 59.38 -160.61 0.28 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.842 0.714 . . . . 0.0 110.272 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.9 t -76.28 117.94 18.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.164 0.507 . . . . 0.0 110.166 174.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.99 -20.51 66.53 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.637 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.36 -42.53 99.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.008 0.432 . . . . 0.0 110.31 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.415 ' O ' HG13 ' B' ' 15' ' ' ILE . 50.9 tt0 -67.51 -48.06 68.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.033 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 46.2 t -63.63 -52.81 52.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.396 -177.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.63 -40.71 92.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.36 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -67.36 -46.35 73.62 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.17 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.424 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 74.2 mt -60.79 -41.49 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.537 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 90.6 mt -56.94 -44.31 82.37 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 177.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.91 95.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.011 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.464 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.3 mt-10 -61.27 -52.15 65.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.755 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 92.3 t -59.18 -49.4 83.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.52 79.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.254 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -67.52 -41.46 84.37 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 18' ' ' GLU . 91.9 t -60.99 -42.76 94.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.352 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 66.6 mt -61.73 -46.68 88.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.625 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.22 -30.5 66.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.519 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.58 -35.07 78.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.612 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -96.47 7.99 45.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.74 46.3 9.16 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.613 0.571 . . . . 0.0 111.223 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.534 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -69.64 120.02 14.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.214 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.478 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 23.9 m -68.75 160.63 76.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.946 175.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 6.4 Cg_endo -49.19 -50.0 13.97 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.303 2.669 . . . . 0.0 113.226 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.44 -46.46 88.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.246 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' B' ' 28' ' ' ALA . 56.1 tp -60.24 -45.14 94.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.345 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 96.9 m -57.23 -52.9 63.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.138 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 61' ' ' PHE . 5.9 tt -70.38 -31.17 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.656 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.2 ttp -66.23 -36.74 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 0.0 110.317 175.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.42 ' O ' HG13 ' B' ' 40' ' ' ILE . 33.5 mt -62.89 -43.38 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.551 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.03 83.31 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 110.127 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.11 -44.52 95.64 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.045 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -56.61 -45.61 81.37 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 110.491 177.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.448 ' O ' HG23 ' B' ' 44' ' ' VAL . 87.7 mt -54.9 -57.81 5.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.523 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.83 -43.49 85.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.299 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 76.6 m -58.52 -54.33 48.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.361 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -64.15 -34.07 77.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.607 0.241 . . . . 0.0 111.214 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 40' ' ' ILE . 75.5 t -68.93 -46.46 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.661 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.6 mt -64.8 -37.25 86.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.773 0.321 . . . . 0.0 111.575 -178.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -84.06 -23.65 30.74 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -124.02 -50.1 1.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -84.42 -42.76 15.33 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -170.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.54 HG21 HG21 ' B' ' 57' ' ' ILE . 4.2 p -77.45 155.23 5.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.919 0.39 . . . . 0.0 111.51 -172.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.05 129.81 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.789 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.69 -47.88 50.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.258 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.5 m -72.3 -12.12 61.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.87 0.367 . . . . 0.0 111.751 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -106.95 -4.57 18.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.356 0.598 . . . . 0.0 109.673 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -62.36 -53.4 55.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.913 -169.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -67.09 -41.16 86.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.381 0.61 . . . . 0.0 110.361 -175.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 90.5 mt -69.82 -50.78 39.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.686 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.54 HG21 HG21 ' B' ' 49' ' ' VAL . 11.1 tt -67.09 -30.12 48.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.023 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.53 86.17 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.203 0.525 . . . . 0.0 110.172 176.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.39 -44.05 72.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.232 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 66.7 mttm -58.05 -42.11 84.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.833 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.44 -47.59 81.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.024 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.9 96.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.766 0.317 . . . . 0.0 110.434 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.52 -47.85 83.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.409 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.72 89.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.769 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LEU . . . . . 0.404 ' HB3' ' HE3' ' B' ' 66' ' ' MET . 19.7 tp -64.33 -47.17 80.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.257 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.404 ' HE3' ' HB3' ' B' ' 65' ' ' LEU . 0.0 OUTLIER -65.64 -30.41 71.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 110.975 177.745 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -76.15 -17.94 59.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.8 m -99.38 5.89 46.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.458 0.647 . . . . 0.0 110.236 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 54' ' ' ARG . 35.3 tp -87.81 104.46 16.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.077 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -47.92 -61.78 1.79 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.137 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' B' ' 72' ' ' PRO . 30.1 m 72.0 131.12 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 123.32 0.388 . . . . 0.0 110.788 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 71' ' ' THR . 12.2 Cg_exo -70.38 34.96 0.24 Allowed 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.299 2.666 . . . . 0.0 114.199 -175.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.77 -0.38 2.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.961 0.41 . . . . 0.0 111.125 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.3 p -92.58 -32.44 14.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.585 0.707 . . . . 0.0 109.323 171.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -97.11 83.19 3.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.931 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -121.24 -170.35 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.701 0.286 . . . . 0.0 111.087 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' B' ' 78' ' ' HIS . 2.3 mt-10 -84.79 -78.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.471 0.653 . . . . 0.0 109.84 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' HIS . . . . . 0.434 ' H ' ' HB2' ' B' ' 77' ' ' GLU . 45.2 m-70 -138.75 73.79 1.45 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.644 178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -71.03 101.08 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.989 -174.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -119.17 140.18 50.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.753 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -103.8 109.78 21.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.953 0.406 . . . . 0.0 110.817 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 68.3 t60 45.96 79.67 0.05 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.396 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.229 175.634 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HB3' ' CD ' ' A' ' 2' ' ' PRO . 27.8 ttt . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 119.572 -0.251 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.449 ' CD ' ' HB3' ' A' ' 1' ' ' MET . 36.9 Cg_endo -66.94 137.04 43.46 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.469 1.446 . . . . 0.0 111.263 173.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 pt -88.91 171.18 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.658 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 m 71.72 91.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.538 0.524 . . . . 0.0 111.078 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -84.23 174.83 9.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.244 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -92.7 -23.92 18.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.791 0.329 . . . . 0.0 110.476 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 65.3 -170.19 0.2 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.365 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.7 m -76.72 119.6 20.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.937 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -39.33 60.37 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.831 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -54.86 -51.68 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.58 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.563 ' O ' HG13 ' A' ' 15' ' ' ILE . 62.9 tt0 -55.26 -54.16 47.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.436 HG22 HD11 ' B' ' 32' ' ' LEU . 85.7 t -55.89 -52.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.078 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.6 -47.09 85.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.936 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 2.6 mptp? -70.12 -31.9 69.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.629 -175.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 11' ' ' GLN . 67.7 mt -68.66 -37.7 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.066 0.46 . . . . 0.0 109.907 175.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.454 HD23 HG23 ' B' ' 36' ' ' ILE . 82.0 mt -60.7 -40.83 93.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.576 176.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -59.98 -38.89 83.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.826 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 5.8 mm-40 -59.85 -52.58 64.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.294 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 48.1 t -62.07 -39.91 85.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.792 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.66 -36.85 74.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 84.9 mt -70.17 -33.36 71.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.698 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.9 -40.32 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 74.4 mt -67.99 -32.31 72.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.464 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.96 -54.06 21.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.025 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -64.84 -23.08 67.12 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.54 ' CG ' HG12 ' B' ' 15' ' ' ILE . 89.6 m-70 -100.16 -5.32 27.94 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.356 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.5 46.94 23.87 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.468 0.48 . . . . 0.0 110.945 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.85 129.29 39.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.046 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -67.25 161.15 66.62 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.473 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.37 -55.96 2.92 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.969 2.446 . . . . 0.0 113.625 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HG2' HD11 ' B' ' 57' ' ' ILE . 33.0 mt-10 -61.27 -40.57 94.58 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.669 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 36' ' ' ILE . 63.7 tp -57.29 -48.88 77.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.009 0.433 . . . . 0.0 110.097 175.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -53.57 -50.88 64.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.362 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD21 ' CG ' ' B' ' 61' ' ' PHE . 8.3 tt -71.34 -34.89 70.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.852 -176.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.9 ttp -64.94 -34.73 79.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.519 HG23 HD23 ' B' ' 16' ' ' LEU . 63.6 mt -60.92 -45.14 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.212 174.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.31 87.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 110.475 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.32 -39.93 96.21 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.459 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -63.93 -38.31 90.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.2 mt -56.59 -56.55 13.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.364 173.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.75 -42.25 88.43 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.995 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -58.71 -46.72 86.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -60.24 -39.38 86.49 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.597 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 40' ' ' ILE . 58.3 t -62.8 -43.82 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.0 109.87 175.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 65.5 mt -66.49 -21.25 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.132 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -82.79 -54.35 5.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.691 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -122.15 -7.8 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -168.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.414 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 75.7 mtp180 -126.86 27.74 5.95 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.582 -169.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.446 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 4.8 p -153.63 167.29 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 177.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -89.73 156.66 18.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.827 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.57 -53.31 59.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.733 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -65.03 -27.91 69.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 5.2 tp60 -82.48 -15.49 52.28 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.405 -174.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 54' ' ' ARG . 15.4 mtm180 -58.11 -56.94 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HA ' HD21 ' B' ' 69' ' ' LEU . 18.1 tptm -65.74 -38.84 90.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.784 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.28 -49.18 67.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.625 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.6 tt -73.51 -31.21 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.725 0.297 . . . . 0.0 110.973 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.45 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 110.254 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.93 -39.22 76.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.814 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -59.78 -43.94 94.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.009 0.433 . . . . 0.0 109.914 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.497 ' HE2' ' CE2' ' B' ' 61' ' ' PHE . 66.1 t80 -57.11 -53.9 52.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.631 177.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.56 -43.0 93.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.32 -46.75 88.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.633 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.82 92.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.15 -38.61 85.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.506 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 32.3 mmt -67.35 -28.4 67.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.093 0.473 . . . . 0.0 110.1 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.8 t -70.71 -47.33 60.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.694 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.9 m -83.87 -3.96 58.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.452 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' B' ' 55' ' ' LYS . 16.2 tp -62.78 105.46 0.66 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.247 174.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.651 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 32.3 mt-10 -68.22 121.17 15.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.991 0.424 . . . . 0.0 110.82 177.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.9 m -103.11 81.96 0.45 Allowed Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 167.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' A' ' 70' ' ' GLU . 2.8 Cg_exo -75.85 118.49 5.07 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.942 2.428 . . . . 0.0 112.005 -173.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -104.98 15.14 28.24 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.895 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -114.0 94.25 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.635 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -134.52 42.31 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.9 mt -129.5 -79.31 0.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.191 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -108.86 -174.34 2.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.783 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -120.13 89.61 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.399 . . . . 0.0 111.274 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -162.46 136.71 6.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.412 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -76.42 -32.72 58.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.809 -175.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -105.47 179.57 4.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.866 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -71.82 145.7 48.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.638 0.256 . . . . 0.0 110.425 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.607 179.45 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.71 ' HB3' ' HD3' ' B' ' 2' ' ' PRO . 25.7 ttt . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' B' ' 1' ' ' MET . 32.1 Cg_exo -59.21 109.06 0.48 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.239 1.959 . . . . 0.0 112.732 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 tp -121.09 133.88 66.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 174.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 12.2 m -60.68 104.54 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.424 0.63 . . . . 0.0 110.913 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -113.75 174.16 6.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.911 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.91 -21.0 63.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.489 ' OH ' ' HB2' ' A' ' 31' ' ' GLU . 67.7 m-85 57.93 -151.49 0.42 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.423 ' H ' ' HB3' ' B' ' 7' ' ' TYR . 57.9 m -83.55 103.81 13.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 168.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -53.45 -36.79 61.97 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.383 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 16.4 mp0 -54.21 -51.7 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.201 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.619 ' O ' HG13 ' B' ' 15' ' ' ILE . 29.5 tt0 -63.37 -44.31 95.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.204 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.12 -51.09 58.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -52.0 -53.76 37.86 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 123.434 0.459 . . . . 0.0 111.575 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.589 ' HD2' ' N ' ' B' ' 14' ' ' LYS . 7.3 mptt -68.41 -32.58 72.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.004 -170.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.619 HG13 ' O ' ' B' ' 11' ' ' GLN . 55.5 mt -66.11 -53.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.519 HD23 HG23 ' A' ' 36' ' ' ILE . 91.8 mt -56.77 -41.61 77.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.027 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.26 85.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.109 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.413 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.9 mt-10 -76.67 -35.13 58.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.104 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.534 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 86.3 t -62.2 -45.33 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 110.327 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.81 -32.78 74.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.558 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.87 -42.04 90.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.753 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 18' ' ' GLU . 72.9 t -61.2 -43.55 96.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 71.9 mt -61.5 -38.1 86.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.268 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -68.86 -46.18 69.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.705 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -56.33 -45.45 80.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.656 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -91.28 7.91 38.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.663 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.14 47.8 22.41 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.141 0.496 . . . . 0.0 111.624 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.526 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -73.53 118.16 16.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.392 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -66.85 163.3 44.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.571 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.64 -52.9 7.82 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.933 2.422 . . . . 0.0 113.65 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -68.81 -34.34 75.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.615 0.245 . . . . 0.0 110.747 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' B' ' 28' ' ' ALA . 63.1 tp -64.04 -42.9 96.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.235 0.541 . . . . 0.0 109.742 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 53.3 m -57.67 -47.02 83.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.849 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.18 -33.93 70.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.704 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.1 ttm -62.1 -45.58 92.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.119 0.485 . . . . 0.0 109.937 175.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.601 ' O ' HG12 ' B' ' 40' ' ' ILE . 32.4 mt -58.03 -40.86 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.37 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.55 78.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.01 0.433 . . . . 0.0 110.407 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.02 -39.92 94.99 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.708 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -59.83 -41.6 91.72 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.601 HG12 ' O ' ' B' ' 36' ' ' ILE . 46.2 mm -59.38 -56.74 15.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.433 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.11 -39.25 74.72 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.116 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -61.24 -47.63 85.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.713 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -63.06 -36.51 83.82 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.918 0.39 . . . . 0.0 110.784 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 40' ' ' ILE . 67.4 t -61.01 -47.07 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.85 174.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.465 ' HA ' HG11 ' B' ' 49' ' ' VAL . 92.4 mt -65.67 -29.7 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.329 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -70.02 -51.04 35.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.511 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -122.0 -45.55 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -169.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 48' ' ' ARG . 52.6 mtt180 -93.49 43.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -167.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.545 HG13 ' HE ' ' B' ' 54' ' ' ARG . 9.8 p -159.18 150.0 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.932 0.396 . . . . 0.0 111.047 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.7 153.1 33.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.33 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.701 0.286 . . . . 0.0 111.691 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 m -65.76 -26.61 67.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.047 0.451 . . . . 0.0 111.286 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -88.23 -17.76 30.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.335 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.545 ' HE ' HG13 ' B' ' 49' ' ' VAL . 21.4 ttm180 -59.34 -59.88 4.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.387 -168.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.481 ' HG2' HD21 ' A' ' 69' ' ' LEU . 46.6 mtpt -70.41 -31.06 68.1 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.476 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.85 -44.55 63.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.672 0.272 . . . . 0.0 111.151 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.625 ' HA ' ' HD3' ' B' ' 60' ' ' LYS . 13.1 tt -68.76 -29.2 42.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.022 -177.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.69 -42.52 81.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.728 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.29 -37.12 69.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.521 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.625 ' HD3' ' HA ' ' B' ' 57' ' ' ILE . 51.2 mtpt -52.52 -49.51 64.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.354 0.597 . . . . 0.0 110.007 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.497 ' CE2' ' HE2' ' A' ' 61' ' ' PHE . 9.7 t80 -61.42 -52.44 64.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.681 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' B' ' 66' ' ' MET . . . -57.46 -40.77 79.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.563 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -62.75 -46.67 86.99 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.12 82.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.86 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.668 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' B' ' 62' ' ' ALA . 0.0 OUTLIER -72.56 -19.42 61.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.216 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.5 m -93.66 -30.95 14.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.177 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 36.7 p -89.63 13.22 14.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.369 0.604 . . . . 0.0 110.291 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' ' 55' ' ' LYS . 35.6 tp -77.94 27.4 0.18 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.47 -176.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 69' ' ' LEU . 35.3 mm-40 70.05 -46.16 0.6 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.55 0.74 . . . . 0.0 111.183 -176.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 9.6 m 59.07 70.49 1.13 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.603 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -94.16 159.37 2.12 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.962 2.441 . . . . 0.0 111.585 175.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp 71.55 118.29 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.911 0.863 . . . . 0.0 111.664 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 71.03 99.46 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 113.826 -1.534 . . . . 0.0 112.244 172.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -129.96 -10.89 4.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.783 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 86.9 mt -78.19 143.91 36.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.05 -15.83 15.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.985 0.422 . . . . 0.0 110.769 177.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -95.1 103.26 15.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.39 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -130.15 -72.25 0.58 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.666 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -165.59 158.33 15.5 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -60.19 112.67 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.273 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -71.73 121.57 19.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.239 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.287 -0.87 . . . . 0.0 108.775 174.208 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.645 0.26 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.85 92.54 0.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.576 2.184 . . . . 0.0 110.988 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.474 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -79.35 -7.24 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.05 -177.798 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.5 m 70.19 99.74 0.06 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.08 -175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.527 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 46.8 t -83.3 155.84 23.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.197 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.694 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -95.92 -10.43 28.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.099 176.51 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.527 ' CE2' ' HB3' ' A' ' 5' ' ' SER . 90.9 m-85 52.7 -152.57 0.26 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.234 174.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.435 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 51.7 p -88.02 143.84 26.86 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.49 -29.73 70.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.62 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.41 -49.08 67.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.381 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 15' ' ' ILE . 52.4 tt0 -58.93 -57.16 14.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.928 -175.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.45 -45.82 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.105 -177.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.6 -40.43 91.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.413 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 66.7 mmtt -75.48 -36.59 60.6 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 11' ' ' GLN . 50.9 mt -67.23 -46.15 84.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.395 175.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.4 HD23 HG23 ' B' ' 36' ' ' ILE . 74.5 mt -60.14 -36.03 76.62 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.5 176.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' LEU . . . -56.49 -54.15 49.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.784 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.6 mt-10 -67.87 -44.3 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.314 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 75.2 t -59.36 -51.04 77.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.672 0.272 . . . . 0.0 111.094 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.72 -32.21 72.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.815 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 2.5 tt -64.44 -42.16 96.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' GLU . 82.2 t -58.72 -44.51 90.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.984 0.421 . . . . 0.0 110.175 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.53 HD13 HG23 ' A' ' 33' ' ' THR . 58.9 mt -62.83 -43.27 99.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.392 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.96 -46.83 70.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.749 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -65.64 -34.46 78.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.641 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -91.3 7.27 41.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.804 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.89 46.76 19.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.83 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -70.99 124.07 23.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.54 ' HB2' ' OE1' ' A' ' 31' ' ' GLU . 5.5 m -67.68 162.03 61.01 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.202 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.54 -49.81 16.18 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.883 2.388 . . . . 0.0 113.506 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.54 ' OE1' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -71.38 -36.17 71.32 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.537 -177.429 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 28' ' ' ALA . 57.6 tp -59.2 -47.18 86.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.159 0.504 . . . . 0.0 109.954 171.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.53 HG23 HD13 ' A' ' 23' ' ' LEU . 54.4 m -56.35 -49.17 75.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.128 177.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.436 HD12 ' HB ' ' B' ' 44' ' ' VAL . 0.5 OUTLIER -69.53 -33.51 72.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.857 -175.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -64.0 -40.63 96.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 40' ' ' ILE . 43.6 mt -60.9 -41.89 90.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.659 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.22 91.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.975 0.417 . . . . 0.0 110.656 177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.98 93.41 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.112 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -64.09 -39.94 95.16 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 36' ' ' ILE . 80.6 mt -56.86 -53.64 39.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.238 175.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.02 -45.27 87.18 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.493 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.3 m -56.33 -49.13 75.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.245 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -59.83 -46.97 87.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.597 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 40' ' ' ILE . 62.9 t -61.68 -47.36 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.783 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.803 HD13 HD12 ' B' ' 69' ' ' LEU . 94.4 mt -63.25 -32.4 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 111.733 -177.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -78.13 -41.84 33.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -117.57 -34.29 4.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -110.74 18.88 19.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -165.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 3.9 p -139.82 164.88 22.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -77.92 143.94 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.367 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.45 -46.35 80.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.261 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 m -63.31 -29.48 70.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.604 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 8.1 tp60 -87.49 -16.6 34.27 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.349 -172.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 14.2 mtm-85 -53.89 -58.68 6.37 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -173.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.53 -39.81 94.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.92 0.39 . . . . 0.0 110.544 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.04 -48.16 63.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.762 -175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.9 tt -74.03 -30.37 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.12 71.52 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.192 0.52 . . . . 0.0 110.005 175.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -68.97 -37.67 78.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.863 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 9.2 mtpm? -56.96 -45.7 82.66 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.52 ' HB2' HD21 ' B' ' 34' ' ' LEU . 86.6 t80 -58.58 -53.99 52.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.722 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.9 -46.91 87.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.721 -176.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 6.8 tp60 -67.62 -39.25 84.69 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.618 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.92 76.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.325 0.583 . . . . 0.0 110.191 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.3 tp -70.08 -41.67 73.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.581 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.5 mmt -79.18 -11.6 59.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.327 -176.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 p -94.64 -25.25 16.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 p -91.01 -25.44 19.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.182 0.515 . . . . 0.0 110.381 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.434 HD11 ' CG ' ' B' ' 54' ' ' ARG . 58.1 tp -59.4 131.53 51.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.667 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.581 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 36.4 mt-10 -95.14 80.72 3.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.626 0.727 . . . . 0.0 111.802 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.591 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 2.4 p -90.1 177.34 2.44 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.988 170.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 52.7 Cg_exo -56.22 109.48 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 121.69 1.594 . . . . 0.0 111.017 172.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 71' ' ' THR . 66.1 mttm -103.47 115.68 30.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.237 -172.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.2 t -79.01 115.71 18.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 171.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -90.03 41.21 1.04 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.525 -173.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 tp -120.39 115.84 24.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -135.48 115.59 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 171.303 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -137.43 104.76 5.46 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.884 0.373 . . . . 0.0 110.119 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -99.97 131.19 46.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.827 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -72.27 -40.27 67.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -175.73 -57.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.734 169.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -97.34 -29.51 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.333 0.587 . . . . 0.0 109.89 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--O 1.245 0.817 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.231 -178.699 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.2 ttm . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.717 0.294 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -87.99 177.27 3.54 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.671 2.247 . . . . 0.0 112.295 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -114.13 -165.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.407 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m -60.99 111.75 1.8 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.849 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m 69.5 167.25 0.28 Allowed 'General case' 0 CA--C 1.533 0.293 0 O-C-N 123.887 0.742 . . . . 0.0 110.778 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -84.06 73.8 10.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.299 0.571 . . . . 0.0 111.152 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -95.58 137.72 34.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.25 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m -57.41 118.51 5.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.972 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.42 -27.08 69.05 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.849 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 4.9 tm-20 -60.14 -47.61 85.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 174.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -61.17 -52.44 64.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.906 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 98.0 t -59.38 -41.74 85.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.64 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.64 -40.9 93.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.558 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 32.5 mmtp -65.14 -45.55 84.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.402 ' O ' HG23 ' B' ' 19' ' ' VAL . 57.5 mt -63.16 -41.91 94.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.364 . . . . 0.0 110.239 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 95.7 mt -60.77 -42.64 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.654 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.54 95.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 29.3 mm-40 -62.47 -50.73 70.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.446 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.595 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 97.1 t -59.89 -49.3 84.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.04 75.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.582 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.09 -43.38 87.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.104 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 18' ' ' GLU . 95.7 t -61.01 -38.88 80.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 110.521 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 75.6 mt -61.83 -49.92 74.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.369 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.59 -33.28 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.538 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.11 -37.78 78.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.756 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -99.28 7.12 45.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.81 41.44 28.05 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 122.779 0.432 . . . . 0.0 111.889 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 149.99 49.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.214 0.53 . . . . 0.0 111.778 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -89.81 165.22 25.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.253 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.21 -49.67 14.53 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.807 2.338 . . . . 0.0 113.531 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' B' ' 31' ' ' GLU . 0.0 OUTLIER -73.57 -32.22 64.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.438 -176.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.29 -45.76 93.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.168 0.509 . . . . 0.0 109.641 171.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.447 HG23 HD13 ' B' ' 23' ' ' LEU . 55.3 m -55.52 -49.13 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.038 176.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 61' ' ' PHE . 7.7 tt -69.03 -34.82 75.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.757 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -65.66 -38.02 88.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.096 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.4 HG23 HD23 ' A' ' 16' ' ' LEU . 46.3 mt -58.21 -45.23 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.615 175.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.35 -37.49 75.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.521 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.82 89.33 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.01 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -59.32 -37.76 78.6 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.542 0.211 . . . . 0.0 110.817 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.435 ' O ' HG23 ' B' ' 44' ' ' VAL . 72.2 mt -59.26 -56.02 19.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.237 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.65 86.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.046 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 49.4 m -57.66 -53.29 59.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.45 -45.96 90.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.576 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 58.7 t -63.44 -47.2 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.088 -178.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.03 -25.24 65.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -92.07 -46.36 7.82 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.823 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -113.46 -7.12 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -169.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.576 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 97.8 mtt180 -131.96 23.0 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.414 HG21 HG21 ' B' ' 57' ' ' ILE . 3.3 p -146.93 158.24 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.85 146.39 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.618 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.68 98.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.556 0.217 . . . . 0.0 111.452 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 16.2 m -65.41 -31.01 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.217 0.532 . . . . 0.0 110.37 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 4.1 tp-100 -85.52 -18.53 33.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.343 -178.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.434 ' CG ' HD11 ' A' ' 69' ' ' LEU . 32.8 ttm180 -53.38 -59.99 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.765 -169.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -79.36 -16.77 55.73 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.242 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -80.3 -45.79 17.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.131 0.491 . . . . 0.0 109.774 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.439 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.5 tt -73.53 -29.05 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.882 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.82 -34.02 68.97 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.107 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.04 -44.17 93.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -62.24 -48.58 79.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.229 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.24 -51.14 69.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.434 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.97 83.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.051 0.453 . . . . 0.0 110.949 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -66.17 -36.77 83.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.83 86.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.623 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.75 -46.6 88.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.435 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -26.35 64.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.396 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.0 m -78.18 -24.8 47.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.959 0.409 . . . . 0.0 110.345 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -97.62 1.12 48.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.44 0.638 . . . . 0.0 109.869 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.803 HD12 HD13 ' A' ' 45' ' ' LEU . 7.9 tt -83.3 125.88 32.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.513 -0.767 . . . . 0.0 108.992 175.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' B' ' 70' ' ' GLU . 5.4 tp10 -75.62 132.98 40.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.287 0.565 . . . . 0.0 110.848 -177.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' B' ' 72' ' ' PRO . 2.7 p -103.23 143.77 27.29 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.869 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 71' ' ' THR . 5.3 Cg_exo -76.76 104.73 1.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.944 2.429 . . . . 0.0 111.409 178.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -79.56 108.87 13.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.567 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 22.2 p -76.99 -52.79 8.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.314 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -151.36 137.95 18.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.483 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.93 111.45 7.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.053 0.454 . . . . 0.0 111.676 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -96.78 106.68 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.513 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -104.12 25.72 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.741 -177.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 63.36 51.16 2.71 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -172.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -86.03 133.47 33.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.984 -170.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 49.2 t60 71.65 -59.07 0.56 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.349 173.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' HIS . . . . . 0.546 ' O ' ' HB2' ' B' ' 83' ' ' HIS . 81.0 t60 -76.67 -88.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.378 -0.231 . . . . 0.0 110.378 -178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.546 ' HB2' ' O ' ' B' ' 82' ' ' HIS . 3.2 t-160 . . . . . 0 C--O 1.244 0.811 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 25.6 ttt . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 110.567 -0.16 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 23.5 Cg_exo -64.22 103.13 0.41 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.721 2.28 . . . . 0.0 111.636 175.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 tt -88.99 -50.78 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.345 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -96.53 86.69 4.2 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m 68.7 160.97 0.19 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.899 0.749 . . . . 0.0 110.581 -173.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -78.12 80.54 4.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.232 0.539 . . . . 0.0 111.475 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -93.72 139.04 31.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.509 171.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.4 m -52.94 114.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.695 0.622 . . . . 0.0 110.76 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -54.94 -44.53 74.39 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.262 -173.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.758 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 22.8 mt-10 -55.38 -49.5 72.15 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.077 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -55.2 -47.96 74.53 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.497 0.498 . . . . 0.0 110.987 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' B' ' 32' ' ' LEU . 38.9 t -61.42 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.017 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.79 -34.39 77.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.375 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.758 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 30.8 mmtp -65.65 -48.23 72.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.097 0.475 . . . . 0.0 110.068 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.88 -42.11 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.952 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -59.43 -36.14 75.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.789 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.12 81.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.676 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.93 -46.63 86.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.014 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.26 -41.66 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.745 0.307 . . . . 0.0 111.076 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.14 78.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.6 mt -69.94 -31.05 68.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.976 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -66.02 -42.09 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.255 0.55 . . . . 0.0 109.832 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.8 mt -69.07 -39.21 79.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.344 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.83 -44.91 88.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.392 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -68.19 -23.67 64.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.691 0.281 . . . . 0.0 111.495 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -93.84 -4.18 50.55 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.189 -0.204 . . . . 0.0 111.022 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.42 44.14 27.59 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.558 0.536 . . . . 0.0 110.666 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -62.85 131.08 47.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.578 -176.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -72.98 163.8 65.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.856 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -52.72 -46.08 36.02 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.52 2.147 . . . . 0.0 112.676 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.767 ' HB3' HG23 ' B' ' 4' ' ' THR . 20.5 mt-10 -69.44 -39.41 77.82 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.462 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' HB2' ' CE2' ' B' ' 7' ' ' TYR . 58.5 tp -62.61 -46.9 86.14 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.086 0.469 . . . . 0.0 109.79 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.1 m -53.45 -51.14 63.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.952 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' B' ' 61' ' ' PHE . 8.5 tt -70.73 -34.9 72.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.842 -176.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.771 ' HE1' ' HA ' ' B' ' 6' ' ' LYS . 29.9 ttp -64.76 -34.08 77.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.27 177.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' ' 40' ' ' ILE . 31.1 mt -64.6 -42.36 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.524 175.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.1 83.68 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.621 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.81 -41.0 99.93 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.179 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -62.03 -41.74 98.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.47 0.176 . . . . 0.0 110.547 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 36' ' ' ILE . 86.8 mt -56.45 -56.49 13.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.561 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.8 -53.73 54.46 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.36 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.4 m -55.16 -43.07 73.92 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.095 0.474 . . . . 0.0 111.489 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -63.95 -47.46 80.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.58 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 87.8 t -65.98 -35.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.744 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.73 HD13 HD13 ' B' ' 69' ' ' LEU . 96.0 mt -65.15 -25.92 67.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.845 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -89.8 -41.43 11.86 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.091 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.559 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 28.8 pt20 -136.59 137.58 40.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.86 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 94.9 mtt-85 91.95 14.65 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.182 1.393 . . . . 0.0 110.854 -178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG11 ' HA ' ' A' ' 45' ' ' LEU . 1.3 p -141.39 158.93 22.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 120.762 0.315 . . . . 0.0 110.314 173.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -79.66 163.08 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.805 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.34 -41.44 56.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.482 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -63.12 -34.57 77.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.339 0.59 . . . . 0.0 110.121 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -88.33 -8.0 55.82 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.568 -176.693 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -60.11 -67.91 0.34 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.935 -170.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -74.66 -26.9 60.16 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.1 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -48.32 72.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.241 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.1 tt -69.9 -32.25 51.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.044 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.34 88.49 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.931 0.396 . . . . 0.0 110.764 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.16 -40.18 71.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.56 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -60.19 -40.87 91.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.099 0.476 . . . . 0.0 110.129 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -60.61 -51.22 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.08 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -57.08 -40.74 77.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -65.29 -47.46 76.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.271 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.04 -38.52 79.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.676 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.17 -42.54 96.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.483 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 25.4 mmt -71.61 -31.0 66.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.176 0.513 . . . . 0.0 110.301 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.3 m -71.71 -19.01 62.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.067 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -110.53 13.0 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.39 0.614 . . . . 0.0 110.499 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 tp -96.59 107.92 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.148 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -74.02 99.51 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.279 0.561 . . . . 0.0 111.485 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.5 m -124.23 87.73 53.45 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.812 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -81.42 -46.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.378 2.052 . . . . 0.0 112.165 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -171.9 170.38 5.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.628 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 75' ' ' HIS . 7.5 t -129.8 -43.46 1.23 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 171.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 74' ' ' THR . 4.8 p80 175.24 124.64 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.86 -85.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.336 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 57.55 28.85 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.75 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -119.97 121.9 40.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 171.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -110.08 -69.36 0.87 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.823 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.6 m80 66.03 153.3 0.07 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.687 0.617 . . . . 0.0 110.972 -176.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -105.05 -23.35 12.96 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 122.054 -0.404 . . . . 0.0 110.266 176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -97.41 -71.81 0.67 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.279 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.996 -178.528 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.25 -158.65 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.923 2.415 . . . . 0.0 112.247 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.9 pt -72.07 179.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.011 0.434 . . . . 0.0 110.099 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.767 HG23 ' HB3' ' A' ' 31' ' ' GLU . 54.0 m -90.31 125.78 35.63 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.853 174.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -54.91 124.68 17.42 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 123.398 0.436 . . . . 0.0 110.094 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.771 ' HA ' ' HE1' ' A' ' 35' ' ' MET . 51.3 mtpt -82.11 -15.74 52.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.961 -175.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 67.7 m-85 60.74 -151.96 0.39 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.116 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.8 p -67.7 104.54 1.66 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.519 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.1 -40.31 73.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.208 0.528 . . . . 0.0 110.809 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.626 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 2.0 mp0 -53.73 -48.45 69.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.228 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.563 ' O ' HG13 ' B' ' 15' ' ' ILE . 36.5 tt0 -70.63 -40.75 72.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.62 -176.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 80.8 t -58.84 -44.78 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.63 -42.31 74.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.191 0.52 . . . . 0.0 110.495 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 34.3 mmtp -69.9 -44.12 70.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.593 -178.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 11' ' ' GLN . 54.8 mt -62.96 -41.41 92.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.782 0.325 . . . . 0.0 110.289 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 93.5 mt -58.37 -40.41 82.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.547 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.93 89.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.655 177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.487 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.9 mt-10 -57.58 -49.88 74.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.725 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 87.9 t -62.3 -48.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.167 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -61.38 -34.46 75.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.86 0.362 . . . . 0.0 111.146 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 tt -66.02 -39.81 90.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.332 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 18' ' ' GLU . 66.1 t -63.0 -38.4 81.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.224 0.535 . . . . 0.0 110.275 177.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.636 HD13 HG23 ' B' ' 33' ' ' THR . 58.6 mt -64.17 -49.64 71.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.341 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -71.66 -21.77 61.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.198 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.9 -33.62 76.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.445 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -104.9 4.99 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.07 44.56 22.4 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.292 0.568 . . . . 0.0 110.792 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.65 122.7 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.31 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.428 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 33.4 m -71.4 159.77 84.53 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.056 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 1.7 Cg_endo -44.03 -48.37 9.42 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.657 2.905 . . . . 0.0 113.429 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 3.1 mp0 -57.39 -50.43 72.99 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.302 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.4 ' CD1' HG22 ' A' ' 12' ' ' VAL . 54.8 tp -63.49 -47.21 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.898 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.636 HG23 HD13 ' B' ' 23' ' ' LEU . 53.5 m -56.96 -50.25 73.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.515 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 tt -72.77 -31.21 64.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.294 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.438 ' HB2' ' HE2' ' B' ' 35' ' ' MET . 14.9 ttm -61.33 -39.82 91.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.204 0.526 . . . . 0.0 109.961 175.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.84 -44.03 98.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.741 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.86 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.48 . . . . 0.0 110.168 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.72 -46.16 92.65 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.114 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -55.75 -39.95 71.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.52 0.2 . . . . 0.0 110.696 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.441 ' O ' HG23 ' B' ' 44' ' ' VAL . 75.2 mt -59.96 -59.75 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.477 175.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.502 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.64 -42.24 83.01 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.354 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 53.1 m -56.63 -52.97 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.043 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.23 -41.53 97.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.522 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.834 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 69.3 t -62.39 -49.33 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.72 177.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 91.2 mt -68.74 -16.54 63.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.889 -176.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -97.96 -51.2 4.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -122.68 6.24 9.45 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -168.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.834 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 28.5 mmt180 -123.94 10.51 8.87 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.206 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.617 HG21 HG21 ' B' ' 57' ' ' ILE . 9.8 p -144.62 152.67 15.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.837 0.351 . . . . 0.0 110.374 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.41 151.64 42.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.744 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.46 80.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.789 0.328 . . . . 0.0 111.235 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -66.79 -30.05 70.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.403 0.621 . . . . 0.0 110.472 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.579 ' HB3' HG22 ' B' ' 49' ' ' VAL . 5.1 tp60 -94.17 -4.96 48.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.448 -174.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.65 -65.05 0.75 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.9 -169.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.7 -29.38 67.81 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.943 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.62 -49.92 71.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.127 0.489 . . . . 0.0 109.829 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.617 HG21 HG21 ' B' ' 49' ' ' VAL . 9.9 tt -75.03 -28.58 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.36 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.71 80.51 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.15 0.5 . . . . 0.0 110.159 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.68 -36.91 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.99 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -56.74 -54.31 47.77 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.886 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.507 ' HB2' HD21 ' A' ' 34' ' ' LEU . 90.6 t80 -58.15 -53.32 59.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.467 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -62.1 -48.93 77.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.698 -175.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -65.9 -41.43 91.5 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.649 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.34 96.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 0.0 110.403 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 tp -62.7 -38.74 91.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.259 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.5 mmt -76.74 -34.5 58.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 65.1 p -73.82 -21.76 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 0.0 110.766 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 18.0 t -103.21 9.36 38.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.227 0.537 . . . . 0.0 109.853 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.73 HD13 HD13 ' A' ' 45' ' ' LEU . 68.9 tp -91.12 134.66 34.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.012 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -52.06 -46.88 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.416 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.2 m 64.99 95.09 0.05 OUTLIER Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.245 176.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.14 42.34 0.74 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.868 2.379 . . . . 0.0 113.466 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' B' ' 73' ' ' LYS . 46.1 mtpt -133.86 1.74 3.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.921 0.391 . . . . 0.0 110.415 176.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 16.1 p -62.65 -57.39 11.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.84 -175.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -78.99 -18.31 53.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.851 0.357 . . . . 0.0 110.984 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.97 -31.34 50.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.369 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.559 ' OE1' ' HB2' ' B' ' 80' ' ' HIS . 0.6 OUTLIER -113.61 117.04 30.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.904 0.383 . . . . 0.0 110.739 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -130.93 148.39 52.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.557 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 78.54 -21.95 0.31 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.971 170.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.559 ' HB2' ' OE1' ' B' ' 77' ' ' GLU . 38.8 m80 -92.28 -44.67 8.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -61.42 110.14 1.36 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.331 0.586 . . . . 0.0 111.277 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -111.94 137.09 50.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.319 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 10.0 m170 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.706 173.893 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.63 0.253 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.07 -66.49 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.545 2.163 . . . . 0.0 110.602 171.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -144.63 -32.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.926 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.464 HG22 ' OE2' ' B' ' 31' ' ' GLU . 0.2 OUTLIER -148.03 -170.04 3.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 6' ' ' LYS . 66.0 m -71.05 -4.98 27.91 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 5' ' ' SER . 80.4 tttt 74.68 -60.62 0.51 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.423 0.689 . . . . 0.0 112.566 175.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 64.03 -157.67 0.31 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -172.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.2 m -89.8 124.0 34.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.552 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -58.89 -40.44 84.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.315 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.92 -42.33 75.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.352 . . . . 0.0 111.131 176.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 15' ' ' ILE . 52.8 tt0 -69.32 -55.26 10.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.202 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.412 HG22 ' CD1' ' B' ' 32' ' ' LEU . 60.4 t -55.96 -51.25 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.332 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.85 -44.14 97.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -29.25 63.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.276 -176.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 11' ' ' GLN . 77.8 mt -65.3 -47.85 85.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 172.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.453 HD23 HG23 ' B' ' 36' ' ' ILE . 89.1 mt -57.94 -41.6 83.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.737 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.89 86.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.265 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.65 -38.56 83.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.171 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 15' ' ' ILE . 99.8 t -64.28 -45.39 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.96 0.409 . . . . 0.0 110.106 176.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.67 71.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.102 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.06 -40.85 82.69 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.11 -47.6 92.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.198 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.9 -37.92 77.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.687 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.22 -51.86 22.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.762 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -63.4 -40.7 97.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.516 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -86.76 1.37 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.021 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.02 45.14 21.59 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 123.658 0.599 . . . . 0.0 111.678 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.61 123.63 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -65.51 155.54 85.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.4 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.434 ' HB3' ' HD3' ' B' ' 48' ' ' ARG . 53.6 Cg_exo -52.74 -46.73 31.5 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.71 2.273 . . . . 0.0 112.466 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.94 -45.85 93.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.98 0.419 . . . . 0.0 110.375 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HA ' ' HE3' ' A' ' 35' ' ' MET . 65.6 tp -61.18 -38.78 87.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.478 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -58.88 -53.05 62.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.187 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.52 -31.43 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.976 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.49 ' HE3' ' HA ' ' A' ' 32' ' ' LEU . 24.3 ttm -55.69 -49.64 72.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.427 0.632 . . . . 0.0 110.171 173.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.7 mt -61.47 -38.09 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.183 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.41 82.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.016 0.436 . . . . 0.0 110.71 175.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.17 -36.2 89.72 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.259 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.56 -41.42 98.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.972 0.415 . . . . 0.0 110.0 177.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 36' ' ' ILE . 72.5 mt -60.62 -52.37 62.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.643 177.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.37 -51.16 67.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.391 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.3 m -57.56 -48.72 78.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.33 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -59.79 -41.06 90.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.152 0.501 . . . . 0.0 111.202 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 54.5 t -65.56 -42.6 93.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.284 176.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.856 HD13 HD13 ' B' ' 69' ' ' LEU . 96.1 mt -63.91 -17.15 62.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -84.7 -62.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.988 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -109.6 -41.42 4.57 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 14.1 mmt85 -82.7 10.82 6.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -168.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 57' ' ' ILE . 8.5 p -136.66 153.06 29.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.12 145.96 41.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.629 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -53.87 -42.19 68.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.996 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.2 t -76.62 -4.01 40.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.446 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' HB3' HG22 ' A' ' 49' ' ' VAL . 1.8 tp-100 -111.47 -10.53 14.17 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.268 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 65.7 mtt-85 -50.55 -65.14 0.61 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -171.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 tmtp? -71.2 -26.07 62.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.044 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.71 -46.69 57.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.01 0.433 . . . . 0.0 109.935 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 49' ' ' VAL . 13.4 tt -72.07 -26.82 25.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.161 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.52 -32.55 70.06 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.258 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.08 -43.69 91.36 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -54.72 -50.69 67.72 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.033 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -57.66 -54.4 47.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.056 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.542 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -63.26 -45.3 92.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.611 -176.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.07 -44.88 94.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.422 . . . . 0.0 110.385 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.9 85.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.449 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 tp -69.25 -38.31 78.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.555 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 31.3 mmt -64.07 -39.09 93.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.0 110.272 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t -74.88 -28.51 60.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.583 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.2 m -88.03 2.46 51.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.296 0.57 . . . . 0.0 110.561 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 66' ' ' MET . 7.6 mt -74.35 85.0 1.95 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.151 174.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -80.12 89.37 5.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.967 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.589 ' HB ' ' HD2' ' B' ' 54' ' ' ARG . 5.4 t -129.45 119.64 19.5 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 121.257 0.551 . . . . 0.0 111.052 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 71' ' ' THR . 17.1 Cg_exo -68.55 94.17 0.43 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.833 2.355 . . . . 0.0 112.289 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.45 -44.88 0.55 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.623 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -145.29 162.28 37.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -131.77 7.74 4.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.932 0.396 . . . . 0.0 110.229 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 79' ' ' HIS . 2.1 tt -95.22 125.14 39.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.861 -175.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -64.35 105.02 0.84 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.176 -176.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.4 t60 54.14 56.9 6.44 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.115 172.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.653 ' HB2' HD22 ' A' ' 76' ' ' LEU . 65.1 t60 -81.19 60.98 4.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.957 0.408 . . . . 0.0 111.461 -176.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 79' ' ' HIS . 3.7 p80 170.51 111.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.601 172.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -78.15 143.52 37.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.914 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -71.04 140.73 50.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.375 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 119.089 -0.481 . . . . 0.0 110.033 178.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 110.654 -0.128 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.28 107.9 2.1 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.555 2.17 . . . . 0.0 111.814 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.6 ' H ' HD12 ' B' ' 3' ' ' ILE . 0.2 OUTLIER -98.45 -68.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.214 0.531 . . . . 0.0 110.965 -176.538 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 26.7 m -63.13 -71.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.072 -175.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -130.34 163.44 26.84 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -91.92 80.98 5.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.361 0.601 . . . . 0.0 110.474 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -92.48 175.03 6.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.334 173.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 79.3 m -60.27 122.6 14.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.02 -42.92 69.66 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.738 -176.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 1.6 tp10 -55.53 -54.29 45.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.593 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -51.93 -55.77 18.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.597 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.9 t -58.24 -49.11 82.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.155 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -58.55 -47.27 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 65.4 mmtt -69.2 -44.16 72.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.779 -174.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.402 ' O ' HG23 ' B' ' 19' ' ' VAL . 78.4 mt -64.43 -39.37 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.928 -177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -61.11 -44.04 97.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.686 0.279 . . . . 0.0 110.574 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.67 96.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.483 ' O ' HG23 ' B' ' 22' ' ' VAL . 5.9 mm-40 -57.67 -53.25 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.095 177.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 15' ' ' ILE . 99.3 t -61.19 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.978 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.1 90.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.83 -41.42 97.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.414 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 18' ' ' GLU . 87.3 t -59.63 -40.89 83.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.949 0.404 . . . . 0.0 110.462 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.16 -38.31 87.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.21 -27.05 61.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -64.37 -24.99 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.138 0.494 . . . . 0.0 110.842 176.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -110.14 -3.52 16.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.481 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 51.69 50.98 17.59 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 123.7 0.625 . . . . 0.0 110.308 -174.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.99 138.24 56.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.483 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -73.94 158.0 86.42 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.304 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.485 ' O ' ' HB ' ' B' ' 33' ' ' THR . 51.5 Cg_exo -53.22 -50.82 12.65 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.143 2.562 . . . . 0.0 113.986 -175.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.464 ' OE2' HG22 ' A' ' 4' ' ' THR . 33.0 tt0 -69.92 -32.6 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.428 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.467 ' O ' HG12 ' B' ' 36' ' ' ILE . 47.1 tp -63.2 -39.13 93.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.053 0.454 . . . . 0.0 109.996 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' B' ' 30' ' ' PRO . 72.3 m -56.66 -48.9 76.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.739 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -69.97 -30.55 67.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.289 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.458 ' HE2' ' HB ' ' A' ' 4' ' ' THR . 44.1 ttm -61.76 -41.87 98.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.163 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 32' ' ' LEU . 40.3 mm -58.62 -47.95 87.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.796 175.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.49 90.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.092 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.17 -44.05 96.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 121.173 -0.536 . . . . 0.0 112.608 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -60.9 -41.77 96.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.332 0.111 . . . . 0.0 110.839 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 36' ' ' ILE . 88.8 mt -54.19 -56.38 9.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.309 176.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.12 -48.52 78.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.779 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 56.5 m -57.15 -41.33 78.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.937 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -73.75 -41.02 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.035 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.01 -40.2 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 110.385 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 90.0 mt -66.1 -38.04 87.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.468 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.433 ' HB3' ' HG3' ' B' ' 47' ' ' GLN . 2.1 m-80 -69.59 -57.81 4.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.468 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.433 ' HG3' ' HB3' ' B' ' 46' ' ' ASN . 53.9 mt-30 -124.83 76.29 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.259 -171.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 30' ' ' PRO . 13.6 mtt85 173.81 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.19 0.931 . . . . 0.0 110.856 173.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.518 HG21 HG21 ' B' ' 57' ' ' ILE . 7.1 p -80.66 156.6 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.899 0.38 . . . . 0.0 110.579 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 146.33 50.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.27 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.11 77.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.113 0.482 . . . . 0.0 110.801 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.0 m -67.7 -28.69 67.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.469 ' HB3' HG22 ' B' ' 49' ' ' VAL . 23.8 tt0 -96.52 -6.11 37.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.205 -175.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.589 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 21.5 ttm180 -60.39 -60.37 3.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.88 -169.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -75.35 -27.17 59.09 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.601 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.54 -45.79 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.239 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.518 HG21 HG21 ' B' ' 49' ' ' VAL . 11.1 tt -72.71 -27.4 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.69 70.32 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.343 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.25 -50.04 75.22 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.763 176.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -53.26 -48.7 68.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.543 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.82 -50.04 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.312 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -61.13 -47.17 87.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.305 -177.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -65.51 -38.98 91.28 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.2 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.99 0.424 . . . . 0.0 110.327 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.41 -43.0 99.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.216 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 26.3 mmt -70.71 -19.21 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -79.03 -38.8 35.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.18 176.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -84.19 -14.63 49.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.465 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.856 HD13 HD13 ' A' ' 45' ' ' LEU . 54.6 tp -65.79 126.58 28.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.893 175.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.32 -86.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.071 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.4 HG22 ' HE2' ' B' ' 73' ' ' LYS . 15.4 m 54.23 81.02 0.27 Allowed Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.843 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -82.06 134.07 8.01 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.183 2.589 . . . . 0.0 112.235 -176.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.4 ' HE2' HG22 ' B' ' 71' ' ' THR . 75.2 mmtt -111.54 68.96 0.68 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.476 0.655 . . . . 0.0 109.51 177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.8 t -76.57 -21.77 55.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.235 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.9 t60 65.97 111.36 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.084 0.554 . . . . 0.0 111.527 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 76' ' ' LEU . 3.5 mm? -111.44 105.95 14.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.032 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -70.67 99.55 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 172.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 -122.22 28.88 7.25 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.895 -171.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -86.97 2.62 48.86 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.497 0.665 . . . . 0.0 109.967 176.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -81.27 -18.34 46.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 170.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' B' ' 82' ' ' HIS . 10.1 t60 -100.45 105.47 16.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.381 -1.281 . . . . 0.0 107.607 174.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' B' ' 81' ' ' HIS . 18.9 m80 72.12 95.3 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.763 0.664 . . . . 0.0 110.06 -167.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 25.1 p80 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.037 -179.262 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.574 0.226 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.84 124.39 8.06 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.129 1.886 . . . . 0.0 111.504 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HB ' ' HD2' ' A' ' 60' ' ' LYS . 39.2 pt -74.45 -34.67 36.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.978 0.418 . . . . 0.0 110.041 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.833 HG23 ' HB3' ' B' ' 31' ' ' GLU . 24.2 m -150.33 71.05 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.41 176.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 p 35.0 -100.0 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.412 0 O-C-N 124.329 1.018 . . . . 0.0 112.446 -174.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm 179.27 -48.73 0.01 OUTLIER 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 62.25 -178.69 0.13 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.183 -176.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 11' ' ' GLN . 1.4 t -92.65 141.53 28.37 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.782 173.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.7 -27.28 69.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.274 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.0 -53.66 54.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.433 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' H ' HG23 ' A' ' 8' ' ' THR . 51.2 tt0 -58.18 -49.47 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.528 -177.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 58.9 t -60.66 -51.04 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.016 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.06 -43.86 98.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 5.3 mptp? -66.37 -39.27 89.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.39 -176.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.9 mt -71.76 -39.54 68.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.594 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 86.3 mt -58.81 -43.73 90.62 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -58.46 -42.43 87.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.741 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.1 mm-40 -57.85 -53.19 60.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 59.0 t -60.29 -45.11 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.89 84.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.228 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 48.7 mt -68.48 -35.76 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.928 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 18' ' ' GLU . 87.6 t -63.14 -42.62 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.267 0.556 . . . . 0.0 109.833 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 67.3 mt -65.57 -42.98 91.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.371 177.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.84 -48.32 74.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.542 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -65.1 -23.2 67.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.837 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -102.56 5.16 39.16 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.239 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.37 43.88 28.16 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.505 0.503 . . . . 0.0 111.554 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.42 124.52 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.427 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 55.8 m -75.63 164.38 61.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.515 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.612 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 75.0 Cg_exo -50.71 -50.6 13.25 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.275 2.65 . . . . 0.0 113.553 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HB2' ' OH ' ' B' ' 7' ' ' TYR . 1.9 mp0 -58.27 -46.78 85.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.819 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.458 HD11 HG22 ' B' ' 12' ' ' VAL . 61.4 tp -61.17 -47.75 84.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.448 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 23' ' ' LEU . 62.8 m -54.84 -49.98 69.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.265 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' B' ' 61' ' ' PHE . 7.4 tt -70.55 -33.08 70.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.572 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.9 ttp -68.17 -33.04 73.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.158 0.504 . . . . 0.0 110.132 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 40' ' ' ILE . 39.0 mt -61.83 -41.77 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.418 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.19 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.441 ' CA ' ' HE1' ' B' ' 61' ' ' PHE . . . -63.35 -42.0 99.28 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.042 176.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -61.01 -41.51 96.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.587 0.232 . . . . 0.0 110.483 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 36' ' ' ILE . 82.7 mt -57.72 -58.98 3.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.56 -46.2 77.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.59 -178.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -58.95 -51.16 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.54 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -63.35 -32.06 73.38 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.709 0.29 . . . . 0.0 111.454 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.601 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 88.3 t -69.24 -46.55 77.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.611 HD13 ' HG ' ' B' ' 69' ' ' LEU . 96.0 mt -59.15 -32.03 69.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 177.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -67.95 -67.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.403 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -134.06 23.69 3.87 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -166.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.601 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 38.8 mtp85 -142.72 29.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.897 0.379 . . . . 0.0 111.272 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 45' ' ' LEU . 4.1 p -151.05 158.35 4.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.685 177.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -75.17 140.6 43.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.538 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.03 -42.82 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.315 0.384 . . . . 0.0 111.208 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 m -70.61 -23.5 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.569 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 7.8 tp60 -87.52 -24.25 24.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.937 -177.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 93.6 mtt180 -46.12 -53.34 10.54 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -172.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -72.74 -40.63 65.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.365 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 56' ' ' LEU . 4.2 mt -63.39 -47.19 83.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.717 0.294 . . . . 0.0 111.391 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 16.1 tt -70.26 -28.26 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 -175.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -46.29 58.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.648 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.65 -44.64 93.22 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HD2' ' HB ' ' A' ' 3' ' ' ILE . 36.0 ttpt -55.31 -46.25 76.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.467 176.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' HB2' HD21 ' B' ' 34' ' ' LEU . 85.0 t80 -59.3 -53.3 59.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.886 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -61.01 -43.7 98.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.247 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.14 -48.08 83.22 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.02 85.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.781 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -67.47 -38.93 85.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.605 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.8 mmt -75.15 -32.03 61.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.707 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.2 p -79.28 -9.97 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.105 0.479 . . . . 0.0 110.441 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.6 m -110.99 7.91 21.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.196 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 tp -81.9 98.86 8.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.918 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.92 98.5 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.45 0.643 . . . . 0.0 111.33 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.4 m -91.1 128.7 46.56 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.911 175.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 71' ' ' THR . 15.9 Cg_exo -69.38 49.07 0.61 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.254 2.636 . . . . 0.0 114.475 -173.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -87.32 76.22 9.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.629 0.728 . . . . 0.0 109.402 172.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 p -75.75 -16.1 60.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.087 -173.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 73.53 -6.92 1.66 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.61 0.569 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.1 tp 68.84 -67.5 0.21 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.675 0.79 . . . . 0.0 110.357 -174.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 59.78 -165.69 0.2 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.919 0.866 . . . . 0.0 112.387 175.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -122.22 116.45 24.16 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.418 -1.264 . . . . 0.0 108.167 170.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -83.16 -14.29 53.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.158 -165.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -87.12 83.35 7.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.501 0.667 . . . . 0.0 110.971 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -116.88 -3.49 11.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.452 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 66.53 -76.06 0.05 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.807 -174.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.407 173.248 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -81.23 114.39 2.8 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.26 1.973 . . . . 0.0 111.904 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 tt -62.99 122.24 13.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.415 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 28.2 m 65.04 83.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.586 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.6 p -104.48 -169.56 1.64 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.153 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -76.47 -19.58 57.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 175.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.493 ' OH ' ' HB2' ' A' ' 31' ' ' GLU . 91.1 m-85 55.72 -151.95 0.38 Allowed 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -171.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.401 ' H ' ' HB3' ' B' ' 7' ' ' TYR . 91.6 m -80.24 109.77 15.03 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 167.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -55.84 -42.51 75.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.914 -173.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.16 -37.56 80.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.655 0.264 . . . . 0.0 110.753 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.531 ' O ' HG13 ' B' ' 15' ' ' ILE . 28.5 tt0 -63.75 -50.08 70.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.922 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 32' ' ' LEU . 52.7 t -58.42 -45.6 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.265 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -54.86 -44.28 73.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.215 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.3 -39.19 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.505 -177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 11' ' ' GLN . 64.4 mt -62.51 -46.07 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.93 -40.05 87.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.43 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.87 -49.59 77.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.035 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.2 mt-10 -66.05 -47.15 75.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.233 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 74.8 t -59.68 -46.84 92.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.678 0.275 . . . . 0.0 110.854 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.82 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.822 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 tp -68.06 -40.58 82.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.199 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 18' ' ' GLU . 78.5 t -59.31 -41.05 82.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.039 0.447 . . . . 0.0 110.257 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.572 HD13 HG23 ' B' ' 33' ' ' THR . 64.0 mt -61.01 -47.99 83.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.116 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -65.15 -49.71 68.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.745 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.14 -36.92 68.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.77 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -92.88 2.17 56.91 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.26 49.32 15.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.19 0.519 . . . . 0.0 111.064 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.99 125.53 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.851 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.0 p -71.42 157.87 89.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.428 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.55 -41.4 60.82 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.956 2.437 . . . . 0.0 112.162 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.833 ' HB3' HG23 ' A' ' 4' ' ' THR . 4.9 mp0 -56.91 -50.59 72.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.171 177.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.405 ' O ' HG13 ' B' ' 36' ' ' ILE . 59.2 tp -66.41 -47.55 72.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.457 -177.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.572 HG23 HD13 ' B' ' 23' ' ' LEU . 87.0 m -52.47 -51.86 57.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.674 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 61' ' ' PHE . 4.3 tt -72.41 -31.3 65.4 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.82 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.7 ttp -71.16 -34.05 70.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 32' ' ' LEU . 49.4 mt -60.8 -44.23 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.236 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.41 76.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.088 0.471 . . . . 0.0 110.54 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.71 93.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.369 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -66.01 -41.49 90.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.536 ' O ' HG23 ' B' ' 44' ' ' VAL . 1.5 mp -56.36 -51.1 68.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.15 174.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.587 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.09 -43.89 91.87 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.586 0.231 . . . . 0.0 110.752 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.2 m -60.74 -44.64 96.43 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.171 0.51 . . . . 0.0 110.848 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -66.13 -35.14 79.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.125 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.727 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 72.8 t -65.47 -45.63 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.99 174.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 90.0 mt -61.83 -21.47 64.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -96.78 -55.45 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.409 ' O ' ' HD2' ' B' ' 48' ' ' ARG . 74.5 mt-30 -110.11 10.47 23.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.723 0.297 . . . . 0.0 111.785 -166.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.727 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 7.6 mpt_? -129.23 -51.03 1.2 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.956 0.408 . . . . 0.0 111.662 -174.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.685 HG22 ' HB3' ' B' ' 53' ' ' GLN . 4.2 p -86.48 158.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.335 -172.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.05 155.14 27.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.404 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.86 88.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.776 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.4 m -74.7 -11.68 60.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.185 0.517 . . . . 0.0 111.08 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.685 ' HB3' HG22 ' B' ' 49' ' ' VAL . 6.0 tp-100 -99.81 -4.29 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.193 -177.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -55.0 -62.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.612 -170.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 10.3 tmtt? -78.86 -31.52 45.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.116 -172.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.16 -50.01 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.551 HG21 HG21 ' B' ' 49' ' ' VAL . 12.8 tt -67.44 -33.41 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 -177.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.76 -43.4 79.93 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.383 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.72 -48.45 80.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.07 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -56.73 -39.4 73.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.457 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.483 ' HB2' HD21 ' A' ' 34' ' ' LEU . 48.5 t80 -69.23 -53.37 20.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.877 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.38 -43.38 92.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.397 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -64.21 -40.34 95.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.654 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.9 87.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.423 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.03 -40.29 94.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.29 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' B' ' 66' ' ' MET . 28.4 mmt -63.12 -40.52 97.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.984 0.421 . . . . 0.0 110.432 176.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.4 t -71.03 -19.43 62.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.085 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 29.0 m -99.59 -2.92 34.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.023 0.44 . . . . 0.0 111.035 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.611 ' HG ' HD13 ' A' ' 45' ' ' LEU . 2.8 tt -81.32 102.53 10.48 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.5 82.87 5.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.408 0.623 . . . . 0.0 110.551 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' B' ' 72' ' ' PRO . 8.8 t -73.14 140.27 79.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.173 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 71' ' ' THR . 34.2 Cg_exo -61.76 105.57 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.686 2.258 . . . . 0.0 111.612 178.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.437 ' HD2' ' HA ' ' B' ' 73' ' ' LYS . 30.1 mmmt -109.72 -178.16 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.24 -178.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.37 26.34 1.97 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -171.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -85.72 143.04 28.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.38 124.6 24.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.3 78.84 2.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.229 0.537 . . . . 0.0 109.877 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -170.55 27.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.765 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -141.26 113.41 7.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.457 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -141.69 135.24 29.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.415 0.626 . . . . 0.0 111.853 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -138.5 145.73 41.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.408 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -93.0 157.42 16.32 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.512 -0.756 . . . . 0.0 109.775 -179.047 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -62.12 117.55 4.4 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.627 2.218 . . . . 0.0 112.192 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pt -98.53 94.89 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m 71.98 145.73 0.07 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.191 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -60.88 113.34 2.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.16 0.505 . . . . 0.0 111.334 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -73.22 90.85 1.62 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.913 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.444 ' HB3' ' OE1' ' A' ' 11' ' ' GLN . 82.5 m-85 -76.94 -172.96 2.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.855 172.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.443 ' OG1' ' HB2' ' A' ' 11' ' ' GLN . 49.7 p -77.18 143.05 39.33 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.747 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -60.35 -36.03 77.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.377 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.59 -42.15 98.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.047 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.444 ' OE1' ' HB3' ' A' ' 7' ' ' TYR . 52.9 tt0 -57.99 -52.56 65.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.337 0.589 . . . . 0.0 110.21 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.41 -42.98 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.365 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.05 -45.0 71.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.245 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.17 -42.63 75.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.068 -177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 19' ' ' VAL . 50.5 mt -67.37 -44.27 87.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.107 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.568 HD23 HG23 ' B' ' 36' ' ' ILE . 47.1 mt -57.86 -43.72 86.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 176.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.48 83.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.182 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -72.41 -36.22 68.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.575 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' ILE . 88.4 t -64.18 -46.22 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.029 0.442 . . . . 0.0 110.265 176.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.21 77.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.542 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.583 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 8.0 tt -61.44 -40.31 94.0 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.004 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.744 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 75.9 t -61.55 -48.43 88.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.108 0.48 . . . . 0.0 110.467 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD13 HG23 ' A' ' 33' ' ' THR . 62.6 mt -63.7 -33.83 76.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.533 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.83 -48.34 71.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.119 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.744 ' HE2' ' HA ' ' A' ' 22' ' ' VAL . 45.6 mtmt -56.69 -37.02 70.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.912 0.387 . . . . 0.0 111.52 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 89.0 m-70 -93.33 -3.24 53.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.404 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.09 46.96 22.98 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.533 0.521 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.12 130.66 44.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.721 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 24.9 m -79.13 159.88 72.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.074 176.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 1.3 Cg_endo -45.75 -47.38 13.86 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.627 2.885 . . . . 0.0 114.276 -176.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.9 -41.36 99.4 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.951 0.405 . . . . 0.0 110.324 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.559 ' O ' HG12 ' A' ' 36' ' ' ILE . 37.3 tp -69.32 -29.12 66.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.478 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.507 HG23 HD13 ' A' ' 23' ' ' LEU . 17.6 m -64.08 -47.44 80.09 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.025 0.44 . . . . 0.0 110.255 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' B' ' 61' ' ' PHE . 6.6 mp -76.77 -20.72 56.14 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.913 177.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.465 ' HB3' ' O ' ' A' ' 32' ' ' LEU . 41.5 tpp -57.85 -48.67 79.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.64 ' O ' HG12 ' A' ' 40' ' ' ILE . 38.1 mm -63.04 -53.66 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.514 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.48 -45.4 91.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.772 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.41 -47.69 74.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.521 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -62.91 -33.56 75.57 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.519 0.199 . . . . 0.0 110.951 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.64 HG12 ' O ' ' A' ' 36' ' ' ILE . 49.1 mm -58.99 -54.24 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.75 89.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.101 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -58.82 -47.28 85.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.815 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.5 -34.35 76.7 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.612 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.75 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 90.7 t -64.17 -46.66 92.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 174.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' O ' ' HD3' ' A' ' 54' ' ' ARG . 94.5 mt -65.27 -23.57 67.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.402 . . . . 0.0 111.064 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -78.96 -51.05 10.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.851 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -134.19 -10.33 2.58 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -170.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.75 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 48.3 mtt180 -111.22 19.53 18.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.918 -0.489 . . . . 0.0 112.148 -171.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 50' ' ' ALA . 5.1 p -148.54 175.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.867 -176.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.662 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.79 148.13 23.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.883 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.35 -60.01 3.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.414 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.2 m -69.23 -19.5 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 111.274 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.749 ' HG3' HG12 ' A' ' 57' ' ' ILE . 4.6 tp-100 -88.07 -18.15 29.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -175.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 10.8 mtm-85 -51.09 -51.18 55.91 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -173.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -61.36 -45.41 94.51 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.193 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 tt -68.82 -36.06 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.08 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.749 HG12 ' HG3' ' A' ' 53' ' ' GLN . 12.6 mm -62.36 -46.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.827 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.78 88.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.653 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -61.47 -50.35 73.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.97 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.84 -35.84 81.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.398 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.468 ' HB2' HD21 ' B' ' 34' ' ' LEU . 62.4 t80 -66.91 -51.31 56.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.765 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.52 92.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.108 0.48 . . . . 0.0 110.844 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -66.63 -36.37 82.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.075 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.3 89.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.45 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.2 -48.33 82.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.123 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.9 mmt -72.68 -30.04 63.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.17 -176.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 m -80.02 -33.23 39.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.95 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.4 m -93.73 10.15 34.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.933 0.397 . . . . 0.0 110.479 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.9 tp -66.47 92.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.597 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -81.34 96.28 7.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.479 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.1 p -75.88 144.13 75.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.945 174.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -56.11 106.1 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.061 2.508 . . . . 0.0 113.002 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -99.48 121.32 40.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.912 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.0 p -78.45 70.95 4.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.04 0.448 . . . . 0.0 111.757 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -101.5 -7.36 22.89 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 170.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 mt -79.31 98.99 6.9 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.732 -1.122 . . . . 0.0 108.204 173.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.623 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 50.6 mt-10 -102.99 15.29 29.81 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -167.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -77.98 52.95 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.613 0.721 . . . . 0.0 109.492 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -143.0 -63.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.896 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -106.52 -17.84 14.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -176.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 77' ' ' GLU . 3.9 t-160 -79.8 50.72 1.21 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.301 0.572 . . . . 0.0 109.953 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -159.75 97.9 1.33 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.339 -176.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.07 -51.17 10.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.554 2.17 . . . . 0.0 111.555 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.767 HG13 ' H ' ' B' ' 4' ' ' THR . 3.7 pt -144.75 -81.36 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.609 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.767 ' H ' HG13 ' B' ' 3' ' ' ILE . 12.2 m -83.91 -53.7 5.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.16 0.505 . . . . 0.0 110.009 177.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -156.63 -177.0 6.28 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.562 ' HG3' ' N ' ' B' ' 7' ' ' TYR . 50.4 pttt -98.18 -51.7 3.92 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.539 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.562 ' N ' ' HG3' ' B' ' 6' ' ' LYS . 30.4 m-85 53.26 -167.42 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.479 0.657 . . . . 0.0 112.309 -176.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.8 m -99.85 124.77 45.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.874 177.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -57.98 -38.59 76.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.723 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' B' ' 14' ' ' LYS . 41.6 mt-10 -54.85 -56.2 22.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.176 0.512 . . . . 0.0 110.671 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.492 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.6 tp-100 -58.35 -47.41 83.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.72 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.93 -47.61 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.442 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.14 -47.23 83.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.972 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 10' ' ' GLU . 4.9 mptp? -69.63 -33.75 73.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.513 -175.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 11' ' ' GLN . 69.7 mt -68.88 -46.86 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.291 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.553 HD23 HG23 ' A' ' 36' ' ' ILE . 75.7 mt -57.03 -40.94 77.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.525 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.27 87.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.297 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.466 ' O ' HG23 ' B' ' 22' ' ' VAL . 24.7 mt-10 -72.65 -39.45 67.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.531 -178.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.636 HG21 HG21 ' A' ' 36' ' ' ILE . 98.2 t -62.81 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.184 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.43 -33.37 75.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.44 -40.11 95.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.267 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.1 t -63.21 -42.89 98.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.157 0.503 . . . . 0.0 110.204 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.484 HD13 HG23 ' B' ' 33' ' ' THR . 68.4 mt -62.92 -45.36 92.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.196 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.73 -40.68 97.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.637 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -65.05 -21.0 66.76 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.571 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -109.15 -0.11 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.424 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.82 49.52 20.08 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.809 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.62 126.51 29.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.77 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 72.9 p -75.68 161.07 77.58 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.081 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -44.83 -48.52 10.58 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.446 2.764 . . . . 0.0 113.76 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.555 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 1.9 mp0 -56.94 -50.53 72.31 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.231 0.538 . . . . 0.0 110.078 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.24 -44.39 88.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.112 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.484 HG23 HD13 ' B' ' 23' ' ' LEU . 99.1 m -53.02 -53.88 43.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.487 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 61' ' ' PHE . 8.1 tt -71.01 -36.41 72.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.936 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 29.2 ttp -64.58 -41.8 96.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.682 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 16' ' ' LEU . 52.2 mt -57.83 -44.84 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 177.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.5 -31.83 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.623 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.92 -43.86 92.93 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.017 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -60.51 -40.32 90.98 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.552 HG12 ' O ' ' B' ' 36' ' ' ILE . 42.5 mm -57.95 -59.29 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.673 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.07 -48.89 79.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.254 -177.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 50.5 m -59.71 -46.81 87.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.379 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 59.3 t30 -60.41 -41.38 93.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.053 0.454 . . . . 0.0 110.638 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.613 HG13 ' HB2' ' B' ' 48' ' ' ARG . 45.3 t -65.89 -40.96 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.606 176.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 93.5 mt -60.32 -22.16 62.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.481 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -85.24 -52.37 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.487 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 3.4 pp0? -125.15 -8.04 7.09 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -166.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.613 ' HB2' HG13 ' B' ' 44' ' ' VAL . 4.4 mmp_? -110.53 -43.47 3.86 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.447 -176.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.59 HG21 HG21 ' B' ' 57' ' ' ILE . 9.6 p -71.27 157.78 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.607 0.241 . . . . 0.0 110.461 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.53 139.51 58.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 111.012 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.537 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . . . -61.21 -30.6 70.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.79 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.4 t -90.3 5.37 47.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.719 0.295 . . . . 0.0 110.957 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -124.57 6.08 8.25 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.041 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.537 ' NE ' ' HA ' ' B' ' 51' ' ' ALA . 21.3 mmt180 -55.32 -69.21 0.14 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.19 0.519 . . . . 0.0 111.978 -172.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -69.53 -32.96 72.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.748 -172.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.19 -46.29 84.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.263 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.59 HG21 HG21 ' B' ' 49' ' ' VAL . 11.7 tt -71.98 -29.68 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.535 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -34.46 77.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 110.055 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.51 -45.35 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.555 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.429 ' HA ' ' HB3' ' B' ' 63' ' ' GLN . 22.3 mtpp -68.26 -31.86 71.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.355 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.466 ' CD1' HD23 ' A' ' 34' ' ' LEU . 88.5 t80 -64.86 -49.37 70.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.995 0.426 . . . . 0.0 110.138 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -63.96 -38.99 93.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.94 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLN . . . . . 0.429 ' HB3' ' HA ' ' B' ' 60' ' ' LYS . 29.5 tt0 -53.09 -48.3 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.461 173.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.36 -45.12 76.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 0.0 110.799 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.91 -47.3 81.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.525 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 21.4 mmt -69.05 -30.81 69.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.124 0.488 . . . . 0.0 110.804 -178.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 63.3 m -78.99 -18.46 53.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.049 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.9 p -107.33 6.46 28.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.44 . . . . 0.0 110.491 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 tp -76.15 88.5 3.04 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.965 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.451 ' O ' ' HD3' ' B' ' 72' ' ' PRO . 40.2 mt-10 -71.98 105.95 4.08 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.542 -178.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 17.4 m -96.99 99.42 5.88 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.701 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' PRO . . . . . 0.598 ' HA ' ' HA ' ' B' ' 76' ' ' LEU . 84.4 Cg_endo -80.89 32.67 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.934 2.422 . . . . 0.0 113.754 -170.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' B' ' 73' ' ' LYS . 32.5 mmtp -93.1 -12.6 30.06 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.3 p -100.8 46.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.37 176.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 4.3 t60 56.77 60.76 2.9 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -172.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.598 ' HA ' ' HA ' ' B' ' 72' ' ' PRO . 46.4 tp 60.38 -94.56 0.05 OUTLIER 'General case' 0 N--CA 1.458 -0.035 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -165.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.621 ' HB3' ' HB2' ' B' ' 82' ' ' HIS . 31.5 tt0 -154.41 77.28 1.06 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.752 0.787 . . . . 0.0 108.956 169.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -85.98 -6.6 59.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.42 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -72.32 100.38 2.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.677 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.48 ' O ' ' HB2' ' B' ' 81' ' ' HIS . 30.3 t-80 64.67 24.73 12.99 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.879 176.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' B' ' 80' ' ' HIS . 10.2 m-70 70.79 135.92 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.556 0.693 . . . . 0.0 112.093 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' HIS . . . . . 0.621 ' HB2' ' HB3' ' B' ' 77' ' ' GLU . 83.5 t60 -91.42 -19.69 22.6 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 167.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 84.9 t60 . . . . . 0 C--O 1.253 1.264 0 CA-C-N 114.428 -1.26 . . . . 0.0 108.835 177.126 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.5 mtm . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.57 135.82 37.39 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.682 2.254 . . . . 0.0 112.306 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.9 pt -82.77 166.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.73 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.775 HG22 ' H ' ' A' ' 5' ' ' SER . 1.8 m 62.65 -168.44 0.2 Allowed 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -176.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.775 ' H ' HG22 ' A' ' 4' ' ' THR . 4.3 m -76.82 -12.82 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.06 -0.4 . . . . 0.0 110.508 176.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 5' ' ' SER . 20.5 pttp 59.75 -36.7 0.07 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.152 1.781 . . . . 0.0 113.491 -177.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 92.7 m-85 64.0 -160.55 0.29 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 111.824 174.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -85.82 123.96 31.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.969 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.4 -46.49 66.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.237 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.8 mm-40 -59.02 -55.23 37.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.642 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.536 ' O ' HG13 ' A' ' 15' ' ' ILE . 49.6 mt-30 -55.36 -51.21 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.06 0.225 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 8' ' ' THR . 58.1 t -57.47 -52.09 61.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.058 0.456 . . . . 0.0 111.463 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -67.66 -39.15 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.773 -174.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.51 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 17.3 mmtp -77.21 -23.69 51.4 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.936 -176.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 11' ' ' GLN . 66.2 mt -64.58 -46.81 91.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 169.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.449 HD23 HG23 ' B' ' 36' ' ' ILE . 91.3 mt -58.63 -38.09 77.31 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.552 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.75 -49.32 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.27 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.3 mt-10 -64.57 -42.68 95.5 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.997 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 94.3 t -59.8 -47.72 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 0.0 110.731 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.22 75.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.22 -41.98 96.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.061 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 18' ' ' GLU . 58.3 t -64.05 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.192 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 75.9 mt -63.96 -46.07 86.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.501 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.85 -48.45 81.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.698 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -56.89 -41.31 77.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.557 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -91.74 2.57 56.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.297 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.47 47.09 23.58 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.631 0.582 . . . . 0.0 111.089 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 125.88 26.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.82 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 m -64.36 159.98 54.31 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.511 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.529 ' O ' ' HB ' ' A' ' 33' ' ' THR . 67.0 Cg_exo -51.91 -56.72 2.67 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.965 2.444 . . . . 0.0 114.001 -176.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.88 -34.46 77.85 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.66 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' O ' ' HG3' ' A' ' 35' ' ' MET . 48.5 tp -60.21 -40.0 88.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.148 0.499 . . . . 0.0 109.957 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 49.0 m -58.52 -47.04 85.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.808 174.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' B' ' 61' ' ' PHE . 7.1 tt -74.55 -36.98 63.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.47 -174.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.566 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 5.2 ppp? -66.22 -32.38 73.78 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 40' ' ' ILE . 27.4 mt -65.38 -41.82 92.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.428 175.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.9 81.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.972 0.415 . . . . 0.0 110.117 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.77 -44.02 96.87 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.94 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -58.34 -40.88 83.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.794 0.331 . . . . 0.0 110.521 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 44' ' ' VAL . 77.5 mt -59.33 -54.1 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.479 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.07 -39.61 82.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.914 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.9 m -57.68 -48.28 79.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -62.62 -43.95 97.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.809 0.338 . . . . 0.0 110.102 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.537 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 59.7 t -59.25 -48.94 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.718 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 96.7 mt -67.21 -19.6 65.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.91 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -99.27 -42.05 7.19 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -117.75 -13.23 10.17 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -172.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.537 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 9.2 mmm180 -119.37 13.15 12.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -171.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.564 HG21 HG21 ' A' ' 57' ' ' ILE . 5.4 p -138.74 161.89 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.558 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -74.72 139.71 43.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -44.4 69.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.755 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 m -64.65 -25.19 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.302 0.572 . . . . 0.0 111.206 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -102.86 1.33 33.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.537 -173.449 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.596 ' HG2' HD11 ' B' ' 69' ' ' LEU . 43.8 ttm-85 -60.61 -66.85 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.087 -168.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -77.18 -22.76 51.96 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.471 -176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.78 -53.91 47.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 49' ' ' VAL . 11.7 tt -68.39 -28.84 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.464 -176.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.08 -44.27 72.85 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.628 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.49 -42.41 87.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.645 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -57.81 -39.39 77.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.701 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.543 ' HE2' ' HE1' ' B' ' 61' ' ' PHE . 40.1 t80 -66.39 -47.64 72.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.145 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.82 -40.35 79.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.242 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -60.71 -44.15 96.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.062 0.458 . . . . 0.0 110.576 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.26 89.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.88 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -67.34 -30.64 70.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.121 0.486 . . . . 0.0 110.598 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -30.37 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.793 177.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 p -82.82 -18.85 39.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.787 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.7 p -93.03 -4.81 51.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.292 0.568 . . . . 0.0 110.461 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tt -74.38 107.75 6.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.223 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.408 ' HA ' ' OE1' ' A' ' 70' ' ' GLU . 3.7 mm-40 -89.81 130.51 36.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.724 0.773 . . . . 0.0 111.969 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.529 ' HB ' ' HD2' ' A' ' 72' ' ' PRO . 10.7 p -108.35 178.01 1.15 Allowed Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.712 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.529 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 29.0 Cg_exo -62.61 91.1 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.922 1.748 . . . . 0.0 111.678 174.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -102.63 12.24 36.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.591 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t -117.89 -164.68 1.03 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.739 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 78.17 -9.52 1.5 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.686 0.794 . . . . 0.0 111.562 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.07 1.35 50.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.737 0.304 . . . . 0.0 111.25 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -100.95 -34.03 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.872 0.368 . . . . 0.0 110.734 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -82.29 100.82 10.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.198 0.523 . . . . 0.0 110.38 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -133.28 124.26 26.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.738 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -81.48 -24.46 36.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 172.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -125.85 112.01 15.51 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.611 174.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -74.9 153.27 38.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.728 0.299 . . . . 0.0 110.258 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.479 176.511 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.47 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 27.7 Cg_exo -62.54 143.31 92.71 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 123.007 2.471 . . . . 0.0 112.814 -177.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 pt -85.28 176.35 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.479 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -63.9 136.37 57.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.251 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -156.25 -120.43 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 52.6 tttm 62.43 19.37 11.09 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.813 0.816 . . . . 0.0 110.102 -174.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.476 ' CD2' HD13 ' A' ' 32' ' ' LEU . 31.2 m-85 -108.72 24.47 13.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.263 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 13.7 p 60.76 129.82 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 111.115 -169.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.5 -34.97 78.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.34 0.591 . . . . 0.0 109.614 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -62.22 -51.52 67.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.721 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.567 ' O ' HG13 ' B' ' 15' ' ' ILE . 9.6 tt0 -58.28 -48.89 79.03 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.692 0.282 . . . . 0.0 110.558 -178.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.424 HG22 HD11 ' A' ' 32' ' ' LEU . 86.5 t -59.44 -48.35 87.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.56 -47.65 69.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.944 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.65 -41.85 92.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.365 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 11' ' ' GLN . 70.4 mt -62.12 -48.55 87.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.717 0.294 . . . . 0.0 110.423 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.454 HD23 HG23 ' A' ' 36' ' ' ILE . 90.7 mt -56.69 -43.94 81.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -58.93 -44.34 91.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.288 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.56 -42.03 78.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.806 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.427 HG13 HG22 ' A' ' 19' ' ' VAL . 89.7 t -63.48 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.951 0.405 . . . . 0.0 110.777 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.17 94.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 81.9 mt -66.65 -28.86 68.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.6 -50.6 79.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.208 0.527 . . . . 0.0 109.939 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.635 HD13 HG23 ' B' ' 33' ' ' THR . 50.7 mt -63.27 -44.78 94.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.185 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -59.94 -45.34 92.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.937 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -61.37 -36.71 80.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.617 -176.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -88.26 1.14 55.16 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.203 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.41 45.63 16.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.297 0.57 . . . . 0.0 110.507 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.89 130.37 42.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.434 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -68.38 157.91 86.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.401 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.56 -50.4 13.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.73 2.287 . . . . 0.0 112.612 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.429 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 1.7 mp0 -58.52 -46.43 86.76 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.881 0.372 . . . . 0.0 110.205 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.57 ' O ' HG12 ' B' ' 36' ' ' ILE . 44.9 tp -58.7 -44.33 90.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.685 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.635 HG23 HD13 ' B' ' 23' ' ' LEU . 46.5 m -57.07 -51.63 68.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.665 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.425 ' HB2' HG11 ' A' ' 44' ' ' VAL . 6.6 tt -69.5 -28.79 66.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 -177.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 33.7 ttp -72.01 -31.11 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.223 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.57 HG12 ' O ' ' B' ' 32' ' ' LEU . 30.1 mm -59.05 -45.66 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 172.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.52 -41.25 85.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.561 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.21 -40.03 97.63 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.283 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -61.16 -42.61 98.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.49 ' O ' HG23 ' B' ' 44' ' ' VAL . 70.0 mt -59.59 -54.47 34.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.423 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -56.71 -44.37 81.49 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.34 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.1 m -62.78 -42.2 99.59 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.707 0.289 . . . . 0.0 110.811 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -58.91 -41.88 88.32 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 110.221 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.505 HG13 ' HB2' ' B' ' 48' ' ' ARG . 59.4 t -64.09 -44.75 97.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.152 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 97.9 mt -66.17 -17.33 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.428 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -85.98 -56.54 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.469 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -114.72 -32.35 5.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -170.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.505 ' HB2' HG13 ' B' ' 44' ' ' VAL . 45.4 mtt-85 -102.74 23.51 11.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -164.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.563 HG21 HG21 ' B' ' 57' ' ' ILE . 6.0 p -147.06 150.7 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.417 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.12 145.76 47.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.208 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.27 89.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.858 0.361 . . . . 0.0 110.986 175.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 21.8 m -72.54 -14.31 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -101.84 -8.42 21.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.276 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.459 ' HE ' HG13 ' B' ' 49' ' ' VAL . 16.9 ttm180 -64.01 -52.94 57.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.409 -166.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -76.76 -29.33 56.07 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.143 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 67.4 mt -64.35 -49.58 71.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.045 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.563 HG21 HG21 ' B' ' 49' ' ' VAL . 10.2 tt -69.17 -28.23 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.264 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.42 74.94 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.222 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.66 -47.25 73.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.806 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 57.7 mtpt -51.86 -48.21 64.11 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.289 174.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.543 ' HE1' ' HE2' ' A' ' 61' ' ' PHE . 60.9 t80 -54.03 -58.22 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.779 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.08 -46.97 82.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.944 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.86 -45.02 75.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.471 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.89 85.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.227 0.537 . . . . 0.0 110.416 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.8 -48.87 79.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.851 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.477 ' HA ' ' HB2' ' B' ' 69' ' ' LEU . 65.1 mtt -83.76 -11.6 56.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.62 -175.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -81.1 -26.68 36.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 172.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.2 m -98.47 9.18 43.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.166 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 54' ' ' ARG . 33.8 tp -78.3 113.9 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.462 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -76.35 97.38 4.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.177 0.513 . . . . 0.0 110.465 -178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 21.6 p -115.51 97.97 49.75 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.991 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.87 99.34 0.39 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.669 2.246 . . . . 0.0 111.622 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -120.29 149.53 42.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.408 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.504 ' HB ' ' CG ' ' B' ' 77' ' ' GLU . 7.1 p -81.79 145.97 30.16 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.243 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -87.16 -152.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 29.7 tp -68.89 88.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLU . . . . . 0.504 ' CG ' ' HB ' ' B' ' 74' ' ' THR . 43.3 mm-40 -82.37 -45.37 14.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.273 -176.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -123.66 155.15 38.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.768 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.28 125.75 10.93 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.683 178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -89.37 107.6 19.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.476 -176.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -122.22 -37.98 2.75 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -152.18 112.45 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.036 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 32.5 t60 . . . . . 0 C--O 1.244 0.816 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.339 174.273 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.705 0.288 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -71.61 105.74 1.83 Allowed 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.792 2.328 . . . . 0.0 111.677 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 tp -101.4 123.29 54.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.545 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m 69.32 -79.0 0.04 OUTLIER 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.59 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 t -175.46 -179.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 39.8 mtmt -92.83 -57.38 2.67 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 58.48 171.58 0.06 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 122.016 0.912 . . . . 0.0 113.037 -176.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.551 ' HB ' ' CB ' ' A' ' 11' ' ' GLN . 24.7 m -77.38 116.99 18.43 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.748 -1.114 . . . . 0.0 108.988 173.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -68.27 -33.39 74.26 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.236 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.6 mp0 -65.01 -42.92 93.99 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 174.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.551 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 6.0 tp60 -57.02 -50.2 73.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.373 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.83 -43.11 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.596 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.79 -43.57 97.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 64.4 mmtt -67.43 -36.58 81.52 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 11' ' ' GLN . 89.1 mt -62.86 -52.98 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.044 175.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.95 -40.61 80.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.84 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.48 -50.04 75.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.392 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 22' ' ' VAL . 45.3 mt-10 -62.59 -44.1 97.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.701 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.424 HG13 HG22 ' B' ' 19' ' ' VAL . 71.5 t -60.49 -46.59 95.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.87 0.367 . . . . 0.0 110.779 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.61 80.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.678 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.23 -35.67 80.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.577 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 18' ' ' GLU . 89.9 t -61.62 -41.11 89.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.302 0.573 . . . . 0.0 109.575 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.604 HD13 HG23 ' A' ' 33' ' ' THR . 71.2 mt -66.35 -43.88 84.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.263 178.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.87 -47.51 83.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.974 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -52.15 -41.8 62.85 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.092 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.49 8.73 44.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -175.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.61 42.53 26.96 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.128 0.49 . . . . 0.0 111.331 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -68.95 115.51 8.34 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.679 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 m -63.4 157.89 61.42 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.465 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.522 ' HG3' ' HD3' ' B' ' 48' ' ' ARG . 73.3 Cg_exo -49.23 -43.52 36.93 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.09 2.526 . . . . 0.0 112.299 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.05 -53.04 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.403 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' HG12 ' A' ' 36' ' ' ILE . 50.2 tp -63.41 -33.25 75.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.769 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.604 HG23 HD13 ' A' ' 23' ' ' LEU . 62.7 m -61.86 -47.32 85.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -29.16 65.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.183 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.7 ttm -60.26 -42.24 94.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.885 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 32' ' ' LEU . 40.2 mm -58.74 -49.48 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.919 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.16 84.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.123 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.9 -43.05 95.01 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.548 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -62.05 -43.2 99.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.579 0.228 . . . . 0.0 110.745 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . 86.3 mt -58.35 -56.22 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.58 -45.17 81.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.216 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -60.9 -44.97 96.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.261 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.89 -35.42 79.97 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.626 0.251 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 40' ' ' ILE . 90.1 t -65.15 -45.39 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 174.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.521 HD13 HD13 ' B' ' 69' ' ' LEU . 86.9 mt -62.87 -25.94 68.53 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.435 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.543 ' HA ' ' OE2' ' B' ' 70' ' ' GLU . 5.6 m-20 -84.87 -55.81 3.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.957 0.408 . . . . 0.0 111.561 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -93.63 -59.44 2.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -169.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -87.61 -28.41 21.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -162.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG21 HG21 ' A' ' 57' ' ' ILE . 3.8 p -79.27 159.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.046 0.45 . . . . 0.0 111.509 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.66 135.92 50.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.741 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.559 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -51.69 -43.77 62.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.0 t -87.67 3.27 48.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.569 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 55.0 tp60 -108.16 -12.04 15.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.468 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.559 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 51.1 mtt-85 -50.45 -54.54 21.25 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.911 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HE3' ' SD ' ' B' ' 66' ' ' MET . 22.1 tptm -71.94 -44.3 63.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.593 0.235 . . . . 0.0 110.866 -176.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 33.9 mt -59.85 -47.18 86.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.629 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 14.6 tt -71.57 -30.19 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.696 -175.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.14 77.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.011 0.434 . . . . 0.0 110.1 174.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -44.23 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.466 174.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 56' ' ' LEU . 2.5 mtmm -68.36 -35.95 78.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.133 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -58.7 -50.07 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.364 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.55 -42.28 96.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.93 -51.58 66.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.444 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.47 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 26.1 tp -63.58 -48.41 77.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.238 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.496 ' HA ' HD12 ' A' ' 69' ' ' LEU . 24.2 mmt -65.3 -40.66 94.1 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.064 0.459 . . . . 0.0 110.416 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.1 m -69.08 -17.25 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.811 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.0 m -102.18 2.3 37.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.079 0.466 . . . . 0.0 110.55 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 23.5 mt -84.7 95.65 8.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.775 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 45.8 mt-10 -88.31 92.07 9.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 169.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.4 p -91.67 107.39 21.85 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.486 -176.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 70' ' ' GLU . 56.3 Cg_endo -74.89 93.36 0.95 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.208 1.939 . . . . 0.0 111.617 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -88.66 130.32 35.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.713 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 p -74.76 80.52 2.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.762 0.792 . . . . 0.0 110.394 176.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -153.52 35.77 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.999 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.566 ' HG ' ' HG3' ' A' ' 77' ' ' GLU . 57.7 tp -75.56 117.71 17.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.739 -174.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.566 ' HG3' ' HG ' ' A' ' 76' ' ' LEU . 36.6 mt-10 71.58 123.54 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.126 0.891 . . . . 0.0 112.956 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -176.05 -45.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.894 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -166.34 150.32 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.305 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -117.64 162.79 17.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 70.65 147.6 0.07 Allowed 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.611 0.569 . . . . 0.0 110.4 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -86.24 116.16 24.24 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.881 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.427 -0.797 . . . . 0.0 109.568 -178.357 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.736 0.303 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.35 92.18 0.84 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.588 2.192 . . . . 0.0 111.954 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -87.35 -29.57 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.811 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 10.8 m -153.96 80.45 1.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 63.34 -172.67 0.16 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.924 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 16.7 pttp -125.34 71.01 1.19 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.962 0.887 . . . . 0.0 109.825 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -53.27 151.21 5.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.466 174.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m -55.85 123.35 13.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.424 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -49.63 -49.06 48.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.54 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 6.2 tt0 -60.33 -47.03 87.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -57.42 -48.36 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.962 0.41 . . . . 0.0 110.669 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.06 -41.27 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.538 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.43 -43.77 88.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 33.3 mmtp -56.75 -47.52 79.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.242 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.415 ' O ' HG23 ' B' ' 19' ' ' VAL . 65.7 mt -66.73 -51.0 60.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.92 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.4 mt -58.27 -39.82 80.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.076 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.39 82.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.01 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.489 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.0 mt-10 -66.0 -41.59 90.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.089 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.424 HG22 HG13 ' A' ' 19' ' ' VAL . 72.5 t -60.72 -47.77 91.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.734 0.302 . . . . 0.0 110.869 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.63 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.76 -39.85 95.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.281 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 18' ' ' GLU . 86.4 t -63.28 -44.54 99.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.957 0.408 . . . . 0.0 110.068 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.495 HD13 HG23 ' B' ' 33' ' ' THR . 68.0 mt -62.79 -46.0 90.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.732 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.82 -40.14 91.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -66.33 -20.8 66.19 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.249 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -107.89 7.88 28.3 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.004 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.61 42.24 17.56 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.53 0.519 . . . . 0.0 111.437 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.533 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -68.31 120.75 14.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.525 -178.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 50.7 m -77.6 165.87 48.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.035 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 88.7 Cg_exo -48.0 -48.0 17.56 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.329 2.686 . . . . 0.0 114.056 -177.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.469 ' OE1' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -67.32 -43.67 81.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.465 -177.286 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' B' ' 28' ' ' ALA . 64.6 tp -61.23 -39.5 90.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.793 0.33 . . . . 0.0 110.471 175.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.495 HG23 HD13 ' B' ' 23' ' ' LEU . 95.1 m -56.54 -51.55 68.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.932 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.81 -31.36 66.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.2 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 31.6 ttp -66.26 -36.19 82.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.4 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 32' ' ' LEU . 20.4 mm -59.06 -48.01 88.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 173.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.84 76.48 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.114 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.08 78.18 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.352 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.56 -38.48 84.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.645 0.259 . . . . 0.0 110.755 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 36' ' ' ILE . 84.4 mt -57.8 -57.32 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.401 177.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.94 -44.99 87.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.148 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -55.49 -56.16 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 111.291 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.8 -34.55 78.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.899 -175.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.444 HG21 ' CG2' ' A' ' 33' ' ' THR . 93.4 t -71.26 -41.05 74.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.936 0.398 . . . . 0.0 110.874 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 96.2 mt -68.65 -26.39 65.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.766 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -81.65 -46.1 14.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.474 179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -123.69 27.92 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -166.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.522 ' HD3' ' HG3' ' A' ' 30' ' ' PRO . 57.4 mtt180 -145.34 -48.33 0.23 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 176.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.626 HG21 HG21 ' B' ' 57' ' ' ILE . 7.2 p -77.96 154.15 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.314 -173.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.96 11.27 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.464 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.1 78.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.396 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 26.6 t -78.9 -18.29 54.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.609 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.434 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 51.4 tp60 -88.2 -18.12 29.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.175 0.512 . . . . 0.0 109.952 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -53.82 -63.97 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.032 -0.986 . . . . 0.0 112.56 -168.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.484 ' HE3' ' HB3' ' B' ' 55' ' ' LYS . 11.2 mtpp -71.03 -33.71 70.58 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.729 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 56' ' ' LEU . 54.3 mt -63.77 -52.43 60.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.631 0.253 . . . . 0.0 110.99 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.626 HG21 HG21 ' B' ' 49' ' ' VAL . 13.0 tt -66.92 -29.09 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.196 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.24 82.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.03 -30.35 44.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.023 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -58.27 -46.78 85.39 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 0.0 110.094 169.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -57.54 -44.55 85.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.936 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -61.35 -43.51 98.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -41.55 98.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.029 0.442 . . . . 0.0 109.966 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.09 90.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.448 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.31 -33.34 73.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.682 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 21.2 mmt -69.64 -29.18 66.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.212 0.53 . . . . 0.0 109.909 176.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -84.66 -32.67 23.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.419 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 53.1 p -76.1 -24.74 55.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.135 0.493 . . . . 0.0 110.196 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.521 HD13 HD13 ' A' ' 45' ' ' LEU . 57.5 tp -57.18 128.8 38.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.53 176.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.543 ' OE2' ' HA ' ' A' ' 46' ' ' ASN . 37.8 mt-10 -51.74 -50.23 61.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.873 -177.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 8.3 m 58.99 80.45 0.28 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.628 -174.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.27 44.35 1.68 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.168 2.579 . . . . 0.0 113.271 -172.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.538 ' HB3' ' NZ ' ' B' ' 73' ' ' LYS . 8.7 mtpm? -128.34 -79.41 0.57 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.901 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.9 t -80.55 72.76 7.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.887 0.851 . . . . 0.0 110.433 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -166.17 -44.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.581 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 93.6 mt -99.45 87.76 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.573 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.61 125.98 28.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.094 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -95.5 -55.96 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.52 -173.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -138.47 147.22 42.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.874 0.368 . . . . 0.0 110.989 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -121.49 -42.01 2.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -91.41 136.31 33.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.167 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -82.29 137.47 34.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 -174.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 68.0 t60 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.369 -0.824 . . . . 0.0 109.609 174.92 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.125 0.488 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -91.62 -22.67 0.5 Allowed 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.849 2.366 . . . . 0.0 113.043 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.1 pt -89.35 -34.52 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.754 -175.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.2 m -102.69 111.06 23.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.039 0.447 . . . . 0.0 110.491 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -158.9 -169.82 2.82 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -74.79 -15.58 60.75 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.204 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 62.79 -166.78 0.22 Allowed 'General case' 0 C--O 1.233 0.194 0 O-C-N 123.774 0.671 . . . . 0.0 110.487 -175.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -71.65 98.43 1.91 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -58.69 -23.42 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.056 -172.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.476 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 6.8 tp10 -61.86 -55.08 33.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.221 0.534 . . . . 0.0 109.773 174.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.1 tp-100 -59.49 -46.55 88.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.556 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.2 t -59.88 -46.1 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.166 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.98 -46.61 84.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.849 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 12.9 mptt -63.31 -40.35 97.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.007 -177.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 74.6 mt -64.11 -51.95 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.596 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.15 -41.64 93.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.11 93.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.343 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 22' ' ' VAL . 40.0 mt-10 -69.95 -39.35 76.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.593 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.6 t -61.85 -46.84 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.796 0.332 . . . . 0.0 110.366 177.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.56 84.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.94 -42.96 99.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.164 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 18' ' ' GLU . 77.6 t -61.36 -40.97 88.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.325 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 79.0 mt -58.72 -50.22 74.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.246 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -66.29 -42.59 88.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -62.05 -33.14 73.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.55 -176.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -103.28 11.13 37.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.366 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.63 37.36 27.42 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.438 0.461 . . . . 0.0 111.819 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.14 119.3 12.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.414 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -62.28 149.69 86.63 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.265 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.72 -42.29 51.06 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.119 2.546 . . . . 0.0 112.749 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.79 -46.58 88.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.197 0.522 . . . . 0.0 110.303 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD11 HG22 ' B' ' 12' ' ' VAL . 66.9 tp -60.14 -39.0 84.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.281 177.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.3 m -56.34 -49.8 73.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.369 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tt -73.41 -33.11 64.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.523 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.516 ' HB2' HG23 ' B' ' 4' ' ' THR . 13.9 tmm? -66.32 -33.9 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.089 0.471 . . . . 0.0 109.919 177.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.5 mt -63.72 -42.76 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 174.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.55 71.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.0 -45.63 95.23 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.156 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -59.82 -41.71 91.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.699 0.285 . . . . 0.0 110.462 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 44' ' ' VAL . 78.7 mt -58.08 -58.72 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.393 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.45 -46.67 80.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.323 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 59.9 m -58.62 -47.35 84.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.535 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -70.22 -37.74 75.09 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.735 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 87.7 t -61.21 -48.19 90.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD13 HD13 ' B' ' 69' ' ' LEU . 97.8 mt -64.08 -22.57 66.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 111.162 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 42' ' ' THR . 8.9 t-20 -89.43 -56.88 3.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.78 -173.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -123.04 1.83 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -170.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.791 ' HE ' ' HA ' ' A' ' 48' ' ' ARG . 1.2 mmp_? -129.9 22.43 5.37 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.91 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.601 HG22 ' H ' ' A' ' 50' ' ' ALA . 2.9 p -144.28 175.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.87 141.58 29.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.29 -48.65 76.19 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.8 m -71.21 -13.53 61.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.237 0.542 . . . . 0.0 111.155 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 3.4 tp-100 -106.08 -5.48 19.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.804 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.513 ' HG2' HD11 ' B' ' 69' ' ' LEU . 42.6 ttm180 -68.06 -60.82 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.173 -167.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 59.1 tttm -67.99 -31.57 71.37 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.179 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tt -66.28 -42.76 87.98 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.718 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -71.02 -28.61 33.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.599 177.785 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.35 -44.57 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 173.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 68.7 mm-40 -56.83 -42.97 80.56 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.87 174.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.718 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 50.7 mtpt -53.36 -56.15 19.07 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.654 177.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.519 ' HB2' HD21 ' B' ' 34' ' ' LEU . 89.4 t80 -56.95 -51.55 68.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.062 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.38 75.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.861 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 14.5 mm-40 -68.68 -36.56 78.66 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.084 -177.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.86 87.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.103 0.478 . . . . 0.0 110.07 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.44 -46.14 84.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.567 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.4 tpp -69.7 -33.37 72.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.287 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 p -77.79 -20.01 54.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 0.0 110.705 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.2 m -91.62 -8.1 48.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.229 0.538 . . . . 0.0 110.205 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.579 ' HG ' HG23 ' A' ' 71' ' ' THR . 42.3 tp -73.62 112.21 9.5 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 175.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -41.52 -64.01 0.63 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.146 0.903 . . . . 0.0 112.598 -173.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.579 HG23 ' HG ' ' A' ' 69' ' ' LEU . 39.5 p 48.03 89.38 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.641 0 C-N-CA 123.429 0.692 . . . . 0.0 112.594 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -57.28 133.5 57.73 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.546 2.164 . . . . 0.0 111.693 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -112.72 147.08 37.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.976 0.417 . . . . 0.0 110.436 -175.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.23 111.11 21.76 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.24 -166.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -137.04 -93.48 0.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.996 172.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 mp 52.55 29.43 7.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 79' ' ' HIS . 49.5 mm-40 -115.55 -65.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -173.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 77' ' ' GLU . 34.3 m80 72.76 -39.58 0.45 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.186 0.594 . . . . 0.0 110.273 -168.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.467 ' H ' ' C ' ' A' ' 77' ' ' GLU . 58.2 m80 72.92 173.35 0.3 Allowed 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.654 0.782 . . . . 0.0 110.749 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -85.69 136.51 33.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.137 0.494 . . . . 0.0 110.986 -175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -138.92 -162.65 1.35 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.39 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -140.67 -36.08 0.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 . . . . . 0 C--O 1.25 1.091 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.886 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 2.2 tmt? . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 12.2 Cg_exo -70.76 132.71 22.25 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.1 2.534 . . . . 0.0 111.975 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.6 pt -79.99 -164.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.298 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.516 HG23 ' HB2' ' A' ' 35' ' ' MET . 85.6 m -43.99 120.54 2.11 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.21 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -149.41 -170.67 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.85 -42.68 66.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.493 0.187 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 59.6 -156.49 0.34 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.656 -174.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.486 HG23 ' HB3' ' B' ' 11' ' ' GLN . 2.3 t -82.47 102.54 11.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.302 0.572 . . . . 0.0 109.774 174.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.02 -16.19 58.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.127 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 25.5 mt-10 -62.96 -50.04 72.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.814 175.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.486 ' HB3' HG23 ' B' ' 8' ' ' THR . 35.5 tt0 -69.81 -41.99 74.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.414 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 32' ' ' LEU . 64.8 t -54.73 -46.46 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.261 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.33 -44.76 84.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.834 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 44.6 mmtm -62.81 -46.61 87.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.613 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.29 -37.86 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.493 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 82.2 mt -61.35 -40.91 96.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.469 174.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.02 82.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.867 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 5.6 mm-40 -60.16 -54.26 47.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 109.922 175.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 59.6 t -63.77 -42.89 97.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.99 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.1 77.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.38 -43.33 86.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.017 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 18' ' ' GLU . 93.1 t -60.39 -47.25 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.445 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 56.4 mt -64.39 -40.57 96.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.65 -42.13 82.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 0.0 110.495 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.32 -37.35 87.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -87.01 2.06 50.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.009 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.28 46.18 21.64 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.574 0.546 . . . . 0.0 111.764 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.509 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -66.52 131.07 45.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.202 0.525 . . . . 0.0 111.563 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 13.9 m -85.1 158.09 58.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.591 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 2.6 Cg_endo -46.42 -51.17 9.19 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.557 2.838 . . . . 0.0 113.549 -177.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -56.46 -47.27 79.52 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.037 0.446 . . . . 0.0 110.316 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' B' ' 28' ' ' ALA . 54.9 tp -63.23 -46.58 86.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.752 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.408 ' O ' ' HB ' ' B' ' 36' ' ' ILE . 57.3 m -56.32 -49.72 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 0.0 111.413 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 61' ' ' PHE . 7.5 tt -68.74 -33.1 73.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.213 -177.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 53.8 ttp -67.51 -31.43 71.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.276 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.486 HG12 ' O ' ' B' ' 32' ' ' LEU . 24.3 mm -60.64 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.08 78.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.19 94.81 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.011 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -62.35 -39.65 93.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.586 0.231 . . . . 0.0 110.411 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.522 ' O ' HG23 ' B' ' 44' ' ' VAL . 86.5 mt -57.54 -57.91 8.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.39 -47.0 82.83 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 123.372 0.42 . . . . 0.0 111.325 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 26.3 m -60.57 -47.26 86.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.978 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -66.88 -33.63 76.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.613 0.244 . . . . 0.0 110.806 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 40' ' ' ILE . 94.4 t -64.9 -45.48 94.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.536 HD13 HD13 ' A' ' 69' ' ' LEU . 97.1 mt -63.91 -19.57 65.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.865 178.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -87.91 -66.77 0.88 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.355 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -113.43 6.55 17.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.963 1.098 . . . . 0.0 113.963 -163.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -127.25 -30.78 2.62 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.551 HG22 ' HB3' ' B' ' 53' ' ' GLN . 6.1 p -89.05 157.9 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.73 0.3 . . . . 0.0 110.97 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.07 152.4 38.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.78 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.53 -52.56 61.64 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -62.37 -34.89 77.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.275 0.559 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.551 ' HB3' HG22 ' B' ' 49' ' ' VAL . 4.9 tp-100 -76.58 -25.74 54.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.837 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -48.81 -58.69 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.814 0.696 . . . . 0.0 112.443 -172.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -68.59 -39.49 80.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.8 -50.04 59.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.378 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.525 HG21 HG21 ' B' ' 49' ' ' VAL . 14.5 tt -67.23 -35.19 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.787 -174.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.18 86.65 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.076 0.465 . . . . 0.0 110.827 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.76 -43.51 62.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.294 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -57.56 -45.59 84.97 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.152 175.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -60.16 -49.38 77.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -60.86 -43.42 98.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.95 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.62 -40.73 84.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.529 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.73 -38.31 89.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.368 . . . . 0.0 110.411 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.31 -45.08 85.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.66 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 26.4 mmt -68.13 -30.47 69.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 111.036 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -72.24 -36.27 69.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.993 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -88.13 3.58 48.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.803 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.549 HD13 HD13 ' A' ' 45' ' ' LEU . 58.1 tp -72.01 98.67 2.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.251 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.22 105.05 10.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.194 0.521 . . . . 0.0 110.695 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 54' ' ' ARG . 12.3 t -149.97 138.65 12.53 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.66 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -84.86 -158.27 0.09 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.709 2.273 . . . . 0.0 112.771 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 73.97 11.58 4.41 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.291 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -72.78 -30.79 64.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 76.9 t60 62.24 91.54 0.06 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.542 172.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.51 133.62 50.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.239 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.6 154.23 23.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.575 0.702 . . . . 0.0 112.412 -173.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -133.32 3.91 3.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.644 172.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -70.93 104.52 2.98 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 173.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -93.0 169.17 10.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.328 0.585 . . . . 0.0 111.758 -173.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -85.37 163.04 18.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.18 172.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -99.19 119.27 37.59 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.952 -0.547 . . . . 0.0 109.632 -179.184 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' HB3' ' HA ' ' A' ' 6' ' ' LYS . 14.8 Cg_exo -68.21 98.04 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.625 2.216 . . . . 0.0 111.484 177.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.9 pt -83.5 -26.42 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.677 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -126.33 71.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.275 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.443 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 45.2 m 67.18 136.45 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.442 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HA ' ' HB3' ' A' ' 2' ' ' PRO . 62.9 tttp -77.68 84.77 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.162 0.506 . . . . 0.0 110.481 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.443 ' CE2' ' HB2' ' A' ' 5' ' ' SER . 56.1 m-85 -88.69 171.29 10.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.209 176.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.8 112.58 8.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.759 175.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.92 -44.16 78.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.705 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 25.0 mm-40 -61.98 -45.83 91.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.435 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' O ' HG13 ' A' ' 15' ' ' ILE . 10.3 tt0 -63.61 -44.61 93.45 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.922 -175.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.37 -44.45 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.77 -39.99 95.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.438 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 73.3 mmtt -68.09 -41.61 81.59 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.872 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 11' ' ' GLN . 67.2 mt -60.89 -46.44 96.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 HG23 ' B' ' 36' ' ' ILE . 95.4 mt -59.68 -39.18 83.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.43 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.25 -44.93 93.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.084 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.29 -45.25 94.08 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.765 0.317 . . . . 0.0 110.696 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 87.9 t -62.46 -48.65 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 24' ' ' GLU . . . -62.88 -30.76 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.02 -45.58 91.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.269 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.51 -42.17 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.123 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.501 HD13 HG23 ' A' ' 33' ' ' THR . 73.1 mt -65.94 -42.21 90.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.538 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 3.5 tp10 -62.2 -50.81 70.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.757 -177.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -67.61 -29.49 68.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.35 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -82.68 -3.93 57.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.032 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.42 45.85 26.24 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.599 0.562 . . . . 0.0 110.329 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.45 117.63 8.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.992 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 m -58.1 152.96 37.66 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.607 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -52.14 -47.54 26.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.763 2.309 . . . . 0.0 112.857 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -57.43 -46.54 83.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.009 0.433 . . . . 0.0 110.074 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 tp -63.97 -51.46 64.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.746 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.501 HG23 HD13 ' A' ' 23' ' ' LEU . 40.3 m -54.21 -49.29 69.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.563 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' B' ' 61' ' ' PHE . 6.9 tt -72.92 -31.1 64.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.821 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -66.87 -35.83 80.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.7 mt -60.72 -42.07 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.307 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.92 89.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.071 0.463 . . . . 0.0 110.381 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.04 -39.14 93.0 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.186 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.62 -43.98 89.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 44' ' ' VAL . 81.8 mt -58.81 -57.0 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.391 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.64 74.54 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.351 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.5 m -54.91 -55.62 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.99 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -62.69 -40.73 98.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.62 0.248 . . . . 0.0 111.103 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 40' ' ' ILE . 97.6 t -65.78 -42.17 91.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.54 ' HA ' HG12 ' A' ' 49' ' ' VAL . 96.5 mt -66.38 -45.25 80.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.074 0.464 . . . . 0.0 110.642 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -68.78 -45.99 69.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.402 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -128.52 32.61 4.81 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -151.97 -48.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.065 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 45' ' ' LEU . 2.6 p -81.11 152.85 4.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.435 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.49 139.57 58.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.47 76.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.918 0.39 . . . . 0.0 110.806 177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 t -66.85 -23.76 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.348 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 5.6 tp-100 -97.1 -21.58 17.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.448 -178.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -52.21 -50.19 62.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.892 -167.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 6.8 tmtt? -71.63 -40.95 69.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.873 0.368 . . . . 0.0 110.357 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.34 -43.5 77.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.482 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.505 HG21 HG21 ' A' ' 49' ' ' VAL . 17.2 tt -71.2 -25.76 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.356 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.0 80.83 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.084 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 30.1 mm-40 -61.53 -43.72 98.34 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.927 174.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -58.11 -43.67 87.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.506 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.7 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 79.7 t80 -59.83 -54.17 49.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.588 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.09 -43.81 91.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.045 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -61.54 -41.74 97.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.26 88.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.738 0.304 . . . . 0.0 110.417 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mp -58.35 -48.31 80.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.065 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.7 mmt -69.94 -34.02 72.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.758 -175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.7 p -77.45 -26.52 51.57 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.382 -0.199 . . . . 0.0 111.452 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.0 p -105.39 10.98 33.22 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.063 0.459 . . . . 0.0 111.035 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' B' ' 54' ' ' ARG . 49.1 tp -78.58 131.86 36.91 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.751 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -70.36 94.19 0.92 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.088 0.47 . . . . 0.0 110.883 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 p -88.77 150.68 46.32 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.395 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -71.41 69.05 2.67 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.52 2.147 . . . . 0.0 112.584 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -93.51 11.85 27.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.16 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.1 p -76.84 88.04 3.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.661 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -130.52 86.71 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.581 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.7 tp -164.63 148.19 9.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.546 -176.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.3 103.59 9.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -101.96 32.02 3.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.708 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -97.4 -41.88 8.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.032 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -146.39 -34.38 0.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.17 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -67.18 -55.69 13.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.7 -176.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -127.12 84.64 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.617 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.414 177.376 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.462 ' O ' ' HE2' ' B' ' 6' ' ' LYS . 75.1 Cg_exo -51.79 -28.03 29.05 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.947 2.431 . . . . 0.0 113.129 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.7 pt -121.93 155.86 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.523 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 22.3 m 67.12 -81.93 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.673 0.608 . . . . 0.0 112.199 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -93.21 89.35 6.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.007 0.432 . . . . 0.0 111.084 -174.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' B' ' 2' ' ' PRO . 67.6 mttt -112.21 14.13 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.726 178.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -114.02 -172.79 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -167.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -69.0 111.62 5.12 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.287 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.44 -37.9 70.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.192 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 37.4 tt0 -54.47 -57.62 10.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.47 178.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -61.42 -39.75 91.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.089 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.0 t -55.48 -50.04 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.96 -45.99 86.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.191 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 64.5 mmtt -66.7 -35.69 80.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.186 -174.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.414 ' O ' HG23 ' B' ' 19' ' ' VAL . 69.8 mt -69.48 -44.37 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 176.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.5 -38.03 71.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.481 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -63.77 -46.11 86.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.038 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 16.1 mm-40 -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.723 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 19' ' ' VAL . 98.0 t -63.23 -42.74 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.248 177.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.2 74.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.74 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 50.0 mt -65.79 -34.8 78.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.052 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.559 HG12 HG23 ' A' ' 15' ' ' ILE . 45.7 t -66.97 -42.84 89.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.59 -44.0 95.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.17 176.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.81 -43.2 98.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.91 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -63.04 -43.33 98.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.17 -177.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -87.77 -4.41 58.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.567 -178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.02 47.69 14.4 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.323 0.583 . . . . 0.0 110.452 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -63.41 130.88 46.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.342 -0.845 . . . . 0.0 112.334 -176.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -69.49 155.63 93.17 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.985 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.15 -49.52 16.02 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.08 2.52 . . . . 0.0 113.358 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.36 -36.43 82.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.833 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 28' ' ' ALA . 69.2 tp -62.77 -44.07 97.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 61.7 m -57.1 -51.06 70.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.281 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.83 -36.79 75.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.821 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.4 ttp -66.62 -32.58 74.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.99 0.424 . . . . 0.0 110.255 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.409 HG23 HD23 ' A' ' 16' ' ' LEU . 11.8 mt -63.16 -44.31 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 173.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.75 79.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.055 0.455 . . . . 0.0 110.524 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.79 -45.08 96.95 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.895 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -60.86 -39.15 88.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.36 0.124 . . . . 0.0 110.962 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.516 ' O ' HG23 ' B' ' 44' ' ' VAL . 76.4 mt -58.19 -57.79 9.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.577 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -55.48 -45.9 76.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.349 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 38.3 m -60.85 -43.1 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.288 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -60.78 -43.26 98.32 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 40' ' ' ILE . 58.5 t -62.55 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.614 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.5 mt -66.19 -22.7 66.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.908 -177.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -99.51 -40.59 7.77 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.944 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -105.37 -39.21 6.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -106.0 22.88 14.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -165.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 p -145.26 163.44 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.599 0.237 . . . . 0.0 110.531 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.9 147.88 42.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.019 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.527 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . . . -59.69 -39.44 84.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.008 -176.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -79.69 -18.1 52.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.117 0.484 . . . . 0.0 110.688 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.466 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 8.0 tp-100 -85.86 -22.09 27.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.528 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.527 ' NE ' ' HA ' ' B' ' 51' ' ' ALA . 65.4 mtt-85 -46.22 -58.38 3.72 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.605 0.566 . . . . 0.0 112.38 -171.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -71.28 -40.01 71.17 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.359 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.24 -51.51 69.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.466 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.0 tt -72.19 -20.94 20.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.735 -176.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -48.51 44.89 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.741 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -79.84 -25.34 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.691 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -58.26 -46.93 85.11 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 168.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.7 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 35.9 t80 -61.98 -51.1 69.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.005 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -57.64 -41.0 80.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.668 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -63.77 -44.93 91.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.53 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.13 95.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.756 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.32 -45.52 93.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.462 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.5 mmt -68.15 -31.87 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.047 0.451 . . . . 0.0 110.584 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 25.8 t -68.09 -32.06 72.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.774 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.7 t -104.33 13.19 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.436 -178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -80.43 135.12 36.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.851 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.72 96.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.251 0.548 . . . . 0.0 110.482 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.5 m -129.75 110.86 17.37 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.24 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.18 103.62 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.094 2.529 . . . . 0.0 111.86 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -85.37 71.99 10.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.333 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -116.43 160.26 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.628 -177.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -58.99 109.36 0.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.084 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 7.4 tt -102.99 -53.28 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -172.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -83.47 137.37 33.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.356 0.598 . . . . 0.0 111.368 -173.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -168.78 98.04 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.863 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' HIS . . . . . 0.645 ' HB3' ' HB3' ' B' ' 83' ' ' HIS . 19.9 p-80 -128.85 29.98 5.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -173.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -72.31 -48.74 39.85 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 168.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -74.62 125.39 28.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 158.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -48.33 126.67 11.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.606 0.717 . . . . 0.0 112.639 -167.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.645 ' HB3' ' HB3' ' B' ' 79' ' ' HIS . 9.7 t-160 . . . . . 0 C--O 1.248 0.985 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.101 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.546 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 59.1 mtt . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.789 0.328 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -92.71 40.78 0.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.339 2.693 . . . . 0.0 114.094 -173.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 1' ' ' MET . 1.1 mp -96.9 -14.35 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.323 0.582 . . . . 0.0 109.443 176.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.38 149.71 45.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.655 -175.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -54.58 123.53 13.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.62 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -83.31 91.65 7.35 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.455 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -84.51 -170.25 3.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.049 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 25.1 m -62.93 114.98 3.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 173.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -35.48 80.95 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -174.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -67.22 -37.22 83.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.651 175.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.557 ' O ' HG13 ' A' ' 15' ' ' ILE . 33.6 tt0 -54.22 -55.54 27.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.441 HG22 HD11 ' B' ' 32' ' ' LEU . 42.5 t -58.0 -49.76 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.061 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -55.37 -45.07 76.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.345 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -31.54 60.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.274 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.589 HG23 HG12 ' B' ' 22' ' ' VAL . 76.2 mt -64.29 -46.88 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 174.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.87 -36.74 72.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.812 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.92 92.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.49 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.4 mm-40 -70.01 -43.22 71.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.433 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 15' ' ' ILE . 91.2 t -58.35 -45.87 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.706 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.75 98.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.641 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.4 tt -60.95 -37.05 81.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.377 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.544 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 77.4 t -63.2 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.091 0.472 . . . . 0.0 110.714 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.1 mt -69.1 -39.8 78.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.699 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -34.68 78.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.589 0.233 . . . . 0.0 111.075 175.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 52.4 mtpt -60.58 -19.73 58.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.288 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -121.17 6.73 10.24 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.438 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.26 46.83 25.95 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.13 0.49 . . . . 0.0 110.956 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 137.02 58.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.967 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.8 p -82.52 163.19 53.19 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.604 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.77 -39.51 89.25 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.386 2.057 . . . . 0.0 111.653 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.89 -51.03 66.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.57 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 36' ' ' ILE . 54.6 tp -61.83 -40.82 96.64 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.632 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.3 m -57.11 -46.38 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.39 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.5 -30.4 64.48 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttp -68.2 -34.93 77.17 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.935 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 41.4 mm -56.91 -50.07 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.55 96.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.021 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -45.23 96.3 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.953 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -66.53 -34.44 77.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.57 0.185 . . . . 0.0 110.638 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 36' ' ' ILE . 67.6 mt -58.31 -54.68 29.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 173.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.554 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.32 -44.0 88.43 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.98 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.3 m -61.17 -45.19 95.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.886 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -58.88 -42.25 89.03 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.974 0.416 . . . . 0.0 110.238 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.697 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 69.9 t -62.21 -49.64 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.987 175.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 97.5 mt -60.54 -19.69 57.97 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.708 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -88.5 -59.41 2.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.777 0.323 . . . . 0.0 111.377 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -114.32 -31.72 6.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -169.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.697 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 41.7 mtt180 -96.95 15.83 21.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -168.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG22 ' HB3' ' A' ' 53' ' ' GLN . 4.0 p -138.75 161.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.85 146.71 37.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -56.16 -42.0 76.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.946 0.403 . . . . 0.0 111.491 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.5 m -77.41 -2.69 36.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.443 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.567 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 7.1 tp60 -107.12 -18.4 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.322 -0.236 . . . . 0.0 111.532 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 66.3 mtt-85 -47.65 -63.21 1.12 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -171.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HA ' HD11 ' B' ' 69' ' ' LEU . 8.8 tmtm? -69.14 -35.43 76.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.839 -174.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 56' ' ' LEU . 40.5 mt -67.51 -47.63 69.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.581 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.567 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 16.2 tt -68.1 -27.26 36.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.02 -178.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.49 83.0 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.76 174.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 57.3 mm-40 -64.2 -46.98 81.53 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.195 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 28.0 mtpp -53.97 -46.4 71.65 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.416 176.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.603 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 82.6 t80 -59.11 -50.98 71.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.044 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.45 -44.12 96.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.322 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -60.99 -40.64 94.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.052 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.15 -36.3 81.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.979 0.419 . . . . 0.0 110.682 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.8 tp -69.98 -40.75 75.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.701 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 23.6 mmt -70.56 -31.44 68.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.713 0.292 . . . . 0.0 111.533 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 p -79.06 -23.77 44.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.919 0.39 . . . . 0.0 110.84 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 m -91.39 -1.26 57.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.283 0.563 . . . . 0.0 110.172 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' B' ' 54' ' ' ARG . 59.7 tp -73.6 114.92 12.39 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.275 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -86.67 102.76 14.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 m -126.33 97.33 34.51 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.729 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.17 56.41 6.05 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.629 2.886 . . . . 0.0 113.064 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -88.46 20.31 3.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.172 0.511 . . . . 0.0 110.931 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.3 p -79.16 -14.2 59.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.718 -177.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -117.61 -0.2 11.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.796 0.331 . . . . 0.0 110.808 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 tp -161.56 118.26 2.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.81 158.31 15.55 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -80.64 119.95 23.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -67.78 86.67 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.637 0.732 . . . . 0.0 112.832 -169.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -109.75 11.7 24.35 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 168.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -87.72 173.39 9.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.348 -1.297 . . . . 0.0 110.801 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 72.56 105.81 0.07 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 124.053 0.846 . . . . 0.0 111.1 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 . . . . . 0 C--O 1.242 0.687 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.828 178.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.99 83.22 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.766 2.311 . . . . 0.0 112.844 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.9 mt -134.21 136.41 53.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.109 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.4 t -66.49 86.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.124 0.964 . . . . 0.0 111.198 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.598 ' O ' ' HB3' ' B' ' 6' ' ' LYS . 70.2 m -160.36 -169.96 2.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.662 -1.153 . . . . 0.0 108.288 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.598 ' HB3' ' O ' ' B' ' 5' ' ' SER . 29.2 ttpt 74.69 12.23 3.74 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 122.144 0.973 . . . . 0.0 109.384 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -112.82 160.07 18.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.157 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.517 ' HB ' ' CB ' ' B' ' 11' ' ' GLN . 10.8 m -62.99 113.59 3.18 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 174.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.31 -47.5 83.52 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.872 0.367 . . . . 0.0 111.056 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 2.6 tt0 -57.59 -41.33 80.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.511 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.517 ' CB ' ' HB ' ' B' ' 8' ' ' THR . 45.5 tt0 -63.11 -37.66 88.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.13 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 8' ' ' THR . 98.9 t -57.96 -45.79 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.97 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.14 -35.53 81.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.423 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 34.3 mmtp -64.55 -43.8 92.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.621 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.511 HG13 ' O ' ' B' ' 11' ' ' GLN . 76.2 mt -60.72 -46.21 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.509 HD23 HG23 ' A' ' 36' ' ' ILE . 89.8 mt -57.26 -43.6 83.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.574 177.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -61.21 -46.35 90.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.85 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.517 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.3 mt-10 -59.2 -46.53 88.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.617 178.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.465 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 98.7 t -62.05 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.761 178.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.07 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 50.2 mt -69.92 -32.44 70.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.972 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.589 HG12 HG23 ' A' ' 15' ' ' ILE . 85.6 t -64.41 -40.53 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.354 0.597 . . . . 0.0 109.497 174.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 67.2 mt -62.36 -52.17 64.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.124 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.89 -34.54 76.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.944 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -58.86 -32.83 69.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.419 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -106.6 8.72 31.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.706 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.5 35.08 17.69 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.305 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' B' ' 23' ' ' LEU . . . -61.18 129.73 42.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.398 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.6 p -72.66 164.61 58.89 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.407 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 50.4 Cg_exo -54.89 -35.65 89.61 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.325 2.017 . . . . 0.0 111.505 173.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.94 -52.84 63.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.464 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.441 HD11 HG22 ' A' ' 12' ' ' VAL . 49.5 tp -65.21 -34.82 79.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.374 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 94.4 m -55.13 -54.64 40.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.972 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tt -73.19 -31.68 64.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.444 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ttm -57.95 -44.66 87.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.421 0.629 . . . . 0.0 110.016 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.498 ' O ' HG13 ' B' ' 40' ' ' ILE . 50.2 mt -66.76 -37.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.196 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.06 -41.58 83.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.058 0.456 . . . . 0.0 110.558 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.81 -41.29 97.61 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.04 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -58.79 -40.4 83.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.653 0.263 . . . . 0.0 110.547 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 36' ' ' ILE . 76.7 mt -60.07 -57.56 11.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.574 178.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.533 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -54.96 -43.8 73.8 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 123.168 0.293 . . . . 0.0 111.351 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.1 m -65.32 -44.78 86.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.331 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.77 -32.84 74.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 110.443 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 40' ' ' ILE . 80.8 t -63.73 -44.28 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 96.8 mt -61.6 -34.02 74.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.712 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -73.65 -50.42 21.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.26 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -110.48 -67.11 1.01 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -172.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.03 49.2 1.48 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -168.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -163.38 164.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.612 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.56 146.66 23.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.259 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.13 -39.38 72.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 111.39 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.1 t -67.2 -19.9 65.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.946 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -97.42 -18.94 18.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.912 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.666 ' HB3' HD11 ' A' ' 69' ' ' LEU . 95.2 mtt180 -51.39 -58.31 6.58 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.579 ' HE2' ' HB2' ' B' ' 59' ' ' GLU . 10.2 tptm -62.89 -45.06 94.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.956 -178.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.79 -50.23 71.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.746 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 16.5 tt -70.36 -30.88 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.361 -172.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.91 -41.36 59.87 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.049 0.452 . . . . 0.0 110.439 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLU . . . . . 0.579 ' HB2' ' HE2' ' B' ' 55' ' ' LYS . 38.8 tt0 -66.8 -41.87 86.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.105 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -66.91 -29.79 69.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.327 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.603 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 86.9 t80 -67.8 -49.1 64.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.191 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -58.7 -40.69 84.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.726 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.14 -48.63 80.9 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.577 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.97 81.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.001 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 29.0 tp -66.75 -34.3 77.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.358 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.2 mmt -73.68 -24.51 59.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.079 0.466 . . . . 0.0 110.007 176.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.2 t -73.57 -36.53 65.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.303 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.7 p -91.24 -7.28 51.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.115 0.483 . . . . 0.0 111.062 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 55' ' ' LYS . 7.0 tt -63.65 124.91 22.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.183 178.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 142.74 42.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.492 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 21.3 p -106.47 145.37 30.88 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.721 -173.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.66 86.64 0.7 Allowed 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.91 2.407 . . . . 0.0 111.621 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.408 ' C ' ' HG1' ' B' ' 74' ' ' THR . 26.6 mtmt -89.73 28.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.558 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.408 ' HG1' ' C ' ' B' ' 73' ' ' LYS . 41.9 p 51.79 -93.9 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.291 1.036 . . . . 0.0 112.775 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -144.89 130.11 18.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.303 -0.248 . . . . 0.0 110.961 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 50.7 tp -79.32 96.57 6.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 160.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.41 98.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 O-C-N 124.406 1.066 . . . . 0.0 113.695 -160.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -150.27 128.07 11.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.304 -1.316 . . . . 0.0 107.791 172.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 30.3 p80 48.02 104.27 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.311 1.007 . . . . 0.0 112.766 -176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -58.27 -31.76 67.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.615 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -59.8 121.83 12.68 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -76.43 -69.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.799 -174.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 3.8 m80 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.198 -178.221 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.932 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 53.7 ttm . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 119.557 -0.259 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.932 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 4.9 Cg_exo -80.43 125.41 5.68 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.96 1.773 . . . . 0.0 111.589 177.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -76.43 -35.24 26.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -171.83 150.6 2.66 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 p -160.89 -155.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.532 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 tttm 71.02 21.27 4.97 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.796 0.808 . . . . 0.0 110.233 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.571 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 65.3 m-85 -96.01 151.91 19.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.738 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.646 ' HB ' ' HG2' ' A' ' 11' ' ' GLN . 58.9 m -67.84 123.36 20.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 173.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.41 -38.67 74.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.445 -175.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.5 mm-40 -52.3 -47.14 66.11 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 176.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.646 ' HG2' ' HB ' ' A' ' 8' ' ' THR . 11.8 mm100 -55.95 -50.71 70.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.458 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.544 HG22 HD11 ' B' ' 32' ' ' LEU . 45.0 t -61.65 -50.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.934 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.64 -43.29 93.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.631 -174.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 67.9 mmtt -75.35 -38.5 60.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.149 -174.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 19' ' ' VAL . 76.3 mt -63.53 -49.78 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD23 HG23 ' B' ' 36' ' ' ILE . 80.9 mt -56.03 -40.98 74.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.806 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.88 52.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.162 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.564 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.1 mt-10 -65.08 -40.56 94.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.32 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 71.3 t -60.99 -50.31 81.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.584 0.23 . . . . 0.0 110.792 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -62.52 -36.28 82.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.64 -43.19 97.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 177.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 18' ' ' GLU . 84.7 t -61.57 -39.17 82.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.658 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 45.7 mt -59.47 -51.86 68.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.179 176.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.84 -26.62 65.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.216 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.27 -38.9 92.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.762 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -99.69 7.86 44.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.91 43.02 22.09 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.492 0.495 . . . . 0.0 111.297 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -65.1 132.29 48.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.605 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 m -75.05 163.88 65.11 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.089 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -50.08 14.39 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.66 2.24 . . . . 0.0 112.76 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -59.65 -41.93 91.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.772 0.32 . . . . 0.0 110.585 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 28' ' ' ALA . 39.8 tp -62.0 -49.29 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.223 177.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.531 HG23 HD13 ' A' ' 23' ' ' LEU . 54.0 m -57.27 -50.85 71.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.771 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tt -68.85 -33.81 74.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.026 -175.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.466 ' HG3' HG21 ' B' ' 4' ' ' THR . 14.6 tmm? -63.7 -35.58 81.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 40' ' ' ILE . 67.4 mt -60.52 -46.57 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.4 175.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.38 92.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.024 0.44 . . . . 0.0 110.844 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.8 95.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.822 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -61.14 -41.48 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 176.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 36' ' ' ILE . 48.6 mm -57.18 -62.03 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.065 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.6 75.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.707 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.3 m -57.03 -49.08 76.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.954 0.406 . . . . 0.0 110.606 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -68.48 -40.23 81.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.302 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 40' ' ' ILE . 85.5 t -60.01 -47.4 91.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.725 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.991 HD13 HD12 ' B' ' 69' ' ' LEU . 88.0 mt -63.64 -40.59 97.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.49 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -79.36 -16.08 56.85 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -124.41 -63.55 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -175.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -104.94 62.96 0.7 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 -169.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.44 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 2.9 p -168.84 150.54 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 172.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.19 135.64 53.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.985 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.96 80.68 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.216 0.323 . . . . 0.0 111.754 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.3 m -68.86 -39.42 79.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.156 0.503 . . . . 0.0 110.247 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -78.27 -23.31 47.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.234 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -53.34 -48.61 68.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.748 -1.114 . . . . 0.0 112.923 -170.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.944 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -70.07 -45.28 67.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.858 0.361 . . . . 0.0 110.485 -176.713 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -65.96 -45.07 83.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.246 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.7 tt -67.43 -26.16 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.373 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.37 -44.03 53.96 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.853 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -44.99 96.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.161 0.505 . . . . 0.0 110.365 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -64.85 -35.26 80.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.603 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.413 ' HE1' ' CA ' ' B' ' 38' ' ' GLY . 66.0 t80 -59.91 -52.06 67.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.402 175.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.27 96.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.737 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -59.73 -47.74 84.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.175 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.66 94.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.911 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 tp -66.0 -47.16 75.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.0 tpp -71.23 -31.8 68.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.1 -176.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.8 p -77.2 -31.81 55.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.7 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 m -86.29 -1.06 57.16 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.531 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.811 HD11 ' HB3' ' B' ' 54' ' ' ARG . 62.8 tp -72.62 115.12 11.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -92.98 102.39 14.74 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.325 0.583 . . . . 0.0 111.144 -174.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 72' ' ' PRO . 76.3 p -96.4 160.34 29.89 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.067 176.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 76.4 Cg_endo -79.81 -3.77 13.01 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.374 2.049 . . . . 0.0 112.17 176.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 62.9 110.16 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.172 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -74.53 148.26 41.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.86 -175.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -99.69 100.61 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.676 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.4 mt -95.5 -16.3 22.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.982 0.42 . . . . 0.0 110.496 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 1.6 mp0 -63.3 97.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.46 178.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -141.04 118.75 11.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.064 0.459 . . . . 0.0 110.809 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.06 130.74 18.97 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 174.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -95.86 152.4 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.357 0.599 . . . . 0.0 111.499 -170.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.22 78.65 1.85 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.898 174.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -71.57 -30.14 65.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.069 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.231 -0.89 . . . . 0.0 109.836 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.928 0.394 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -87.56 173.03 5.53 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.708 2.272 . . . . 0.0 111.573 171.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.425 ' H ' HG13 ' B' ' 3' ' ' ILE . 0.0 OUTLIER -60.03 -54.09 39.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.258 0.551 . . . . 0.0 111.192 179.489 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.466 HG21 ' HG3' ' A' ' 35' ' ' MET . 9.6 m -71.22 -23.76 62.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.177 -0.92 . . . . 0.0 112.142 -175.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m 66.34 -87.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.743 -176.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 52.1 tttp 179.44 -44.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -174.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.421 ' O ' ' HG2' ' B' ' 6' ' ' LYS . 83.0 m-85 59.38 -164.43 0.21 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.848 -173.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.554 ' HB ' ' HG3' ' B' ' 11' ' ' GLN . 27.1 m -79.78 111.58 16.23 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 168.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.94 -28.11 69.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.937 -173.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.26 -30.21 68.28 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.8 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.557 ' O ' HG13 ' B' ' 15' ' ' ILE . 75.3 mt-30 -64.22 -48.33 76.28 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.46 HG22 HD11 ' A' ' 32' ' ' LEU . 61.0 t -55.13 -50.59 62.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.434 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -54.59 -47.52 73.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.327 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -66.83 -36.6 82.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 11' ' ' GLN . 58.8 mt -67.42 -49.1 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.403 HD23 HG23 ' A' ' 36' ' ' ILE . 99.1 mt -56.27 -42.33 77.27 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.701 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -52.04 66.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.256 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.525 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.0 mt-10 -67.82 -38.45 83.27 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.136 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.5 ' O ' HD13 ' B' ' 23' ' ' LEU . 65.3 t -64.69 -53.39 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.583 0.23 . . . . 0.0 111.178 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.32 -30.27 71.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.954 0.407 . . . . 0.0 110.871 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 tt -65.61 -35.21 80.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.533 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 18' ' ' GLU . 71.0 t -68.49 -43.6 83.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.2 0.524 . . . . 0.0 109.845 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.5 HD13 ' O ' ' B' ' 19' ' ' VAL . 4.7 mp -57.61 -48.87 78.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.865 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.38 -47.47 67.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.442 -176.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -68.92 -21.65 64.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -96.46 3.37 52.82 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.964 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.79 48.18 14.2 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.198 0.523 . . . . 0.0 111.004 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.1 123.37 21.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.865 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -58.37 151.44 49.04 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.164 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.61 -48.34 21.87 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.742 2.295 . . . . 0.0 113.058 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.571 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -65.03 -41.86 94.88 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.544 HD11 HG22 ' A' ' 12' ' ' VAL . 54.8 tp -61.43 -42.2 98.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.329 177.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 96.6 m -53.18 -45.99 68.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.752 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tt -75.7 -34.99 60.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.667 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.7 ttp -66.55 -32.16 73.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.94 0.4 . . . . 0.0 110.393 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 15' ' ' ILE . 47.8 mt -64.88 -42.27 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.259 175.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.438 ' HA ' HD12 ' B' ' 40' ' ' ILE . . . -60.48 -36.23 77.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.267 175.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.413 ' CA ' ' HE1' ' A' ' 61' ' ' PHE . . . -64.18 -41.78 98.23 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.071 175.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -61.21 -40.22 93.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.607 0.242 . . . . 0.0 110.376 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' B' ' 37' ' ' ALA . 84.8 mt -55.67 -58.65 4.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.06 175.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -56.0 -46.38 78.74 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.49 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 67.0 m -56.49 -53.78 53.44 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.939 0.4 . . . . 0.0 111.172 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.44 -37.16 86.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 69.4 t -68.21 -44.51 84.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.835 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.538 ' O ' HG12 ' B' ' 49' ' ' VAL . 94.1 mt -62.4 -45.14 94.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.873 0.368 . . . . 0.0 111.371 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -81.08 -23.08 38.71 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -125.87 -23.49 3.97 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -173.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.416 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 82.3 mtt180 -118.84 -6.93 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -171.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.538 HG12 ' O ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -119.61 162.96 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.631 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' B' ' 53' ' ' GLN . . . -65.36 138.56 58.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.461 -177.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.92 94.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -66.15 -26.39 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.353 0.597 . . . . 0.0 110.61 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.57 ' HB2' ' HB3' ' B' ' 50' ' ' ALA . 8.2 tp60 -92.87 -17.48 24.0 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.441 -171.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.811 ' HB3' HD11 ' A' ' 69' ' ' LEU . 91.8 mtt180 -50.06 -59.97 3.39 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -172.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 9.7 tmtt? -68.86 -34.73 75.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.004 0.431 . . . . 0.0 110.464 -175.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.31 -47.79 54.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.833 -175.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.408 HG22 ' O ' ' B' ' 53' ' ' GLN . 16.8 tt -73.21 -32.21 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.66 -176.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.51 -35.02 78.3 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.156 0.503 . . . . 0.0 109.991 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.31 -49.9 69.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.675 176.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -58.91 -42.21 89.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.16 -47.84 80.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.837 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -64.23 -45.41 88.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.273 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -45.01 96.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.76 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.93 99.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.749 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.02 -37.97 89.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.918 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.6 mmt -71.86 -24.32 61.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.044 0.45 . . . . 0.0 110.57 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 24.4 m -82.13 -26.03 33.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.839 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.9 p -95.8 3.58 53.63 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.464 0.649 . . . . 0.0 110.288 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.991 HD12 HD13 ' A' ' 45' ' ' LEU . 9.6 tt -90.4 107.18 18.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.131 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.23 131.68 39.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -127.2 86.18 59.32 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.495 0.664 . . . . 0.0 111.806 -171.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -94.48 99.84 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 122.92 2.413 . . . . 0.0 112.315 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -139.55 156.13 47.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.841 0.353 . . . . 0.0 110.334 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.1 p -67.06 125.51 26.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.216 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -100.12 14.13 31.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.337 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.2 mt -128.95 72.09 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.781 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -86.15 -14.52 43.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.632 0.73 . . . . 0.0 109.07 175.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -81.98 107.97 15.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.461 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -161.94 140.0 8.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.887 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -130.46 103.7 6.81 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -79.77 158.4 26.87 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 65.72 82.71 0.18 Allowed 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.769 0.668 . . . . 0.0 109.865 -171.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 22.5 p80 . . . . . 0 C--O 1.245 0.85 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.521 -179.478 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.835 0.35 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.69 168.28 9.72 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.803 2.336 . . . . 0.0 112.607 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -121.37 -151.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.277 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.815 ' HA ' ' HB2' ' B' ' 31' ' ' GLU . 23.8 m -43.78 111.56 0.3 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.741 0.651 . . . . 0.0 111.632 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.523 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 6.1 m -80.99 161.7 24.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.118 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -69.93 -42.92 72.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.91 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 67.1 m-85 59.69 -167.86 0.16 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.368 -178.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 11' ' ' GLN . 4.0 t -111.11 140.14 45.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.797 174.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -62.22 -31.48 72.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.284 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 7.5 tp10 -59.7 -53.59 56.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.51 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 15' ' ' ILE . 54.0 tt0 -62.15 -46.78 87.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.664 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.52 HG22 HD11 ' B' ' 32' ' ' LEU . 57.4 t -61.64 -41.67 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.687 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.57 -45.27 81.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 67.6 mmtt -63.69 -42.18 98.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.531 -176.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 11' ' ' GLN . 39.7 mt -63.82 -51.96 63.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.089 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' CD2' HG23 ' B' ' 36' ' ' ILE . 85.5 mt -56.94 -41.36 78.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.308 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.44 93.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.321 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 22' ' ' VAL . 39.2 mt-10 -76.16 -32.0 58.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.327 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 78.1 t -60.86 -46.88 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 174.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -64.58 -31.83 73.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.671 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.19 -39.4 92.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.212 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 18' ' ' GLU . 99.8 t -65.49 -41.22 90.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.22 177.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 62.7 mt -61.1 -49.66 76.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.28 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -60.14 -39.11 85.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.437 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -58.08 -43.88 87.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.205 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -94.77 7.81 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.595 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.93 42.54 28.63 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.425 0.631 . . . . 0.0 110.45 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -63.17 115.75 4.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.185 -176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 p -63.09 157.83 59.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.631 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HB3' ' O ' ' B' ' 48' ' ' ARG . 72.3 Cg_exo -50.35 -45.0 36.27 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.897 2.398 . . . . 0.0 112.406 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.702 ' HB3' ' HB ' ' B' ' 4' ' ' THR . 41.8 mt-10 -64.33 -45.57 87.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 28' ' ' ALA . 53.8 tp -61.19 -45.08 96.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.246 177.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.483 HG23 HD13 ' A' ' 23' ' ' LEU . 93.7 m -55.67 -51.56 66.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.481 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.24 -30.79 65.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.606 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -67.45 -36.12 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.105 0.478 . . . . 0.0 110.05 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.48 HG23 HD23 ' B' ' 16' ' ' LEU . 34.6 mt -61.08 -45.68 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.439 174.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.28 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.25 -44.2 98.41 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.897 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -59.76 -46.84 87.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 44' ' ' VAL . 85.1 mt -53.58 -58.79 2.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.92 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -178.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.0 m -62.45 -42.74 99.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.399 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -66.51 -37.53 85.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.917 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 40' ' ' ILE . 86.2 t -65.73 -49.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.42 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' HA ' HG11 ' A' ' 49' ' ' VAL . 96.6 mt -58.15 -45.78 86.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.73 -178.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -77.72 -22.79 49.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.776 -174.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -106.81 -71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -112.59 79.18 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -168.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 45' ' ' LEU . 4.2 p -172.42 159.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.88 125.07 24.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.462 0.173 . . . . 0.0 110.546 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.75 67.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.363 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 p -73.81 -16.91 61.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 0.0 111.051 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 8.6 tp-100 -97.5 -13.86 21.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.573 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -51.89 -61.84 2.0 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -174.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -57.46 -44.77 85.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.711 0.291 . . . . 0.0 111.264 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.541 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 57.8 mt -62.74 -51.05 68.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.637 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.49 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 13.8 tt -72.61 -22.91 20.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.827 -174.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.68 -36.0 60.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.108 0.48 . . . . 0.0 109.94 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -48.34 78.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.697 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 88.5 mttt -59.06 -41.7 88.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.238 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.464 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 83.0 t80 -58.74 -55.96 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.699 177.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.14 85.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -64.88 -36.26 83.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.74 95.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.695 0.283 . . . . 0.0 110.597 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp -57.63 -41.92 82.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.983 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.555 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . 54.7 mtt -85.18 -13.6 49.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.352 -175.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.8 t -82.82 -38.22 23.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.279 0.561 . . . . 0.0 109.49 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -97.65 14.82 25.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.745 HD21 ' HG2' ' B' ' 55' ' ' LYS . 23.7 tp -76.97 67.24 2.94 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.574 177.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -82.13 101.44 10.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.904 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.617 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 18.5 m -72.1 128.82 88.63 Favored Pre-proline 0 N--CA 1.446 -0.664 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 171.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -42.61 103.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.526 2.817 . . . . 0.0 113.762 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 71' ' ' THR . 94.2 mttt -118.23 -177.92 3.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.192 176.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 t -90.57 124.07 34.74 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.05 0.452 . . . . 0.0 110.064 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -103.47 -78.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.8 mt -124.29 81.19 1.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -126.5 90.19 3.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.807 -173.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -164.15 43.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.678 0.752 . . . . 0.0 109.166 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -137.48 13.86 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.873 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -68.8 -44.7 73.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 169.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -121.73 110.58 16.12 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 163.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -80.86 70.22 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.948 0.88 . . . . 0.0 111.768 -169.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 C--O 1.245 0.854 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.267 176.727 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.6 mtp . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.74 110.12 0.52 Allowed 'Trans proline' 0 C--O 1.238 0.493 0 C-N-CA 123.027 2.485 . . . . 0.0 113.357 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.0 tp -149.87 111.97 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.303 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' THR . . . . . 0.702 ' HB ' ' HB3' ' A' ' 31' ' ' GLU . 5.0 t -62.89 -27.22 69.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.672 -176.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m 63.99 -77.83 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 O-C-N 123.68 0.613 . . . . 0.0 110.719 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -179.74 -25.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.229 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 62.15 -154.6 0.35 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.274 -177.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.525 ' HB ' ' HB3' ' B' ' 11' ' ' GLN . 4.8 m -62.03 111.36 1.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -64.26 -40.44 96.0 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -170.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.559 ' HG2' ' HD3' ' B' ' 14' ' ' LYS . 18.7 tt0 -70.0 -36.66 75.3 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.382 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.542 ' O ' HG13 ' B' ' 15' ' ' ILE . 53.7 tt0 -61.68 -46.22 90.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.342 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.8 -44.39 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.316 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -54.98 -46.28 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.485 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.559 ' HD3' ' HG2' ' B' ' 10' ' ' GLU . 1.4 mptm? -65.36 -42.91 92.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.558 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 11' ' ' GLN . 64.8 mt -63.69 -42.34 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.48 HD23 HG23 ' A' ' 36' ' ' ILE . 91.7 mt -59.26 -42.84 92.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.359 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.49 99.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.933 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.2 mt-10 -62.96 -46.7 86.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.91 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.493 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 81.5 t -59.86 -45.06 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.367 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -60.76 -36.02 77.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.086 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 55.0 mt -69.41 -32.4 71.36 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.983 177.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 18' ' ' GLU . 96.3 t -63.47 -40.17 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 20' ' ' ALA . 39.0 mt -62.86 -53.3 56.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.023 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.11 -35.9 78.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.904 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' B' ' 21' ' ' LEU . 13.4 tmtt? -68.41 -24.53 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.817 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -110.41 11.89 23.13 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.35 -0.218 . . . . 0.0 111.388 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.26 47.85 13.53 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.627 0.579 . . . . 0.0 111.292 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' B' ' 23' ' ' LEU . . . -85.85 115.43 23.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.923 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.721 ' HB2' ' OE2' ' B' ' 31' ' ' GLU . 4.7 m -69.47 161.76 71.57 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.344 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 9.4 Cg_endo -52.96 -41.14 73.35 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.156 2.571 . . . . 0.0 113.653 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.815 ' HB2' ' HA ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -69.1 -40.41 78.41 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.266 -178.136 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 57.0 tp -62.81 -42.23 99.63 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 172.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' B' ' 30' ' ' PRO . 53.5 m -53.29 -47.75 68.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.173 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.11 -37.21 78.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.53 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.1 ttp -65.54 -32.57 74.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.124 0.488 . . . . 0.0 109.98 176.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 16' ' ' LEU . 34.6 mt -64.36 -43.08 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.765 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.59 79.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.556 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.19 99.73 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.799 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -60.35 -44.11 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.548 0.213 . . . . 0.0 110.601 176.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.471 ' O ' HG23 ' B' ' 44' ' ' VAL . 77.2 mt -56.89 -59.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.53 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.487 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -55.15 -48.71 73.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.656 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 34.5 m -61.09 -44.85 96.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.481 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' B' ' 47' ' ' GLN . 80.4 m-20 -65.1 -36.09 83.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.536 0.207 . . . . 0.0 110.785 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 40' ' ' ILE . 74.2 t -63.6 -43.82 98.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.7 0.286 . . . . 0.0 110.239 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.506 ' HA ' HG11 ' B' ' 49' ' ' VAL . 94.4 mt -63.22 -28.58 70.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.235 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -73.17 -47.77 40.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.472 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 43' ' ' ASN . 10.0 pt20 -115.81 -62.56 1.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -172.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 93.8 mtt180 -85.96 59.16 5.46 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.506 HG11 ' HA ' ' B' ' 45' ' ' LEU . 8.0 p -166.56 152.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 172.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 131.75 51.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.155 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.23 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.4 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -75.88 -13.33 60.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.827 0.346 . . . . 0.0 111.623 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.502 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.9 tp-100 -96.29 -16.54 21.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.422 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -48.37 -56.21 8.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -172.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.745 ' HG2' HD21 ' A' ' 69' ' ' LEU . 47.6 mtpt -75.89 -35.01 59.98 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.329 -175.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -65.5 -47.37 76.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.97 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.502 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 15.1 tt -71.06 -27.15 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.902 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.09 -39.02 72.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.09 0.471 . . . . 0.0 110.282 176.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -65.03 -46.78 79.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 175.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.27 -38.45 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.574 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' PHE . . . . . 0.464 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 74.5 t80 -67.36 -48.44 67.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.003 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.71 94.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.307 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -67.9 -33.29 74.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.385 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.61 94.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.742 0.306 . . . . 0.0 110.404 176.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.63 -44.83 95.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.196 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mmt -71.2 -29.89 65.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.432 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.9 p -84.59 -24.95 28.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.702 0.287 . . . . 0.0 111.067 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 18.2 m -94.3 2.02 55.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.372 0.606 . . . . 0.0 110.241 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 tp -72.86 116.4 13.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.625 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -76.26 97.27 4.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.308 0.575 . . . . 0.0 111.861 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' B' ' 73' ' ' LYS . 9.9 t -69.29 142.1 92.06 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.078 170.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.2 106.44 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.846 2.364 . . . . 0.0 112.166 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 71' ' ' THR . 58.2 mttp -95.32 144.3 25.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.764 -177.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.28 121.38 16.74 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.58 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -87.34 130.62 34.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.992 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' LEU . . . . . 0.462 ' H ' HD12 ' B' ' 76' ' ' LEU . 6.0 mp -64.91 -31.05 72.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.364 0.602 . . . . 0.0 109.875 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.62 28.93 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.213 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -61.47 -30.32 70.52 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.764 0.316 . . . . 0.0 110.847 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -89.29 101.21 13.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -124.09 179.47 4.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.693 -175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -98.9 159.2 15.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -160.14 134.14 7.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 71.2 m80 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.076 178.391 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.542 ' HG3' ' OE1' ' A' ' 53' ' ' GLN . 65.1 ttp . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.37 109.94 1.48 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.692 2.262 . . . . 0.0 111.162 174.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 tp -84.09 135.1 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.569 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 m -76.35 140.37 41.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.106 -177.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 t -145.32 160.88 40.85 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -89.85 -9.52 48.76 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 55.23 -152.09 0.37 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.233 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.76 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 18.8 m -88.69 131.5 34.98 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.63 -60.82 2.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.529 -175.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 42.3 mt-10 -64.51 -27.99 69.35 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.328 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.76 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 59.0 tt0 -58.63 -51.99 67.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 48.9 t -64.85 -51.35 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.703 177.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 16' ' ' LEU . 34.6 tt0 -65.03 -37.45 87.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.375 -172.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -76.97 -32.29 57.17 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.038 -178.103 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.8 -42.17 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.614 HD23 HG23 ' B' ' 36' ' ' ILE . 91.9 mt -56.31 -46.25 79.9 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.22 174.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.7 88.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.687 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.4 mt-10 -66.52 -44.89 81.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.64 0.257 . . . . 0.0 110.535 177.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.507 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 87.0 t -59.62 -46.87 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.115 0.483 . . . . 0.0 110.298 176.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.44 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -61.49 -33.61 74.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.81 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.7 tp -69.1 -38.43 78.95 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.478 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 18' ' ' GLU . 97.0 t -62.12 -36.58 75.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.548 0.69 . . . . 0.0 109.397 176.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 73.7 mt -63.78 -51.33 65.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.086 175.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.95 -38.15 90.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.68 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 6.2 tmtm? -51.82 -42.13 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.294 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -99.25 7.06 46.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.05 40.13 31.83 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.834 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.37 131.37 50.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.627 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 55.1 m -76.85 162.16 71.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.988 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 82.1 Cg_exo -48.48 -47.16 21.2 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.295 2.663 . . . . 0.0 113.709 -177.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HB2' ' OH ' ' B' ' 7' ' ' TYR . 41.3 mt-10 -61.44 -47.56 85.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' CD1' HG22 ' B' ' 12' ' ' VAL . 47.2 tp -58.93 -40.51 84.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.299 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.47 HG23 HD13 ' A' ' 23' ' ' LEU . 92.9 m -55.35 -52.92 61.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.335 177.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 tt -73.35 -31.94 64.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.538 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.6 ttm -60.0 -42.13 93.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.318 0.58 . . . . 0.0 110.1 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.613 HG23 HD23 ' B' ' 16' ' ' LEU . 71.4 mt -64.45 -40.03 87.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.758 178.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.99 83.27 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.99 0.424 . . . . 0.0 110.388 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.13 -40.74 95.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.147 177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -61.33 -39.71 91.54 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 36' ' ' ILE . 77.6 mt -59.3 -55.31 24.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.289 176.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.636 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -54.03 -50.95 65.52 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.56 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.9 p -62.7 -48.33 79.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -62.24 -34.0 75.68 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 111.1 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 40' ' ' ILE . 76.9 t -66.34 -44.76 90.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.225 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 86.7 mt -59.09 -49.14 79.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.219 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -53.55 -57.58 10.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.735 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -98.02 -44.36 6.68 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -167.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -92.8 -37.01 12.55 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.458 0.911 . . . . 0.0 113.458 -166.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.572 HG22 ' HB3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -91.3 151.26 3.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.338 -173.203 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.27 156.61 29.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.385 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HA ' ' HG2' ' A' ' 54' ' ' ARG . . . -60.0 -38.99 84.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.45 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 t -64.3 -31.54 72.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.26 0.552 . . . . 0.0 110.342 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.572 ' HB3' HG22 ' A' ' 49' ' ' VAL . 10.3 tp60 -82.79 -21.54 34.53 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.123 -174.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 51' ' ' ALA . 25.4 mmt85 -43.68 -60.01 1.97 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.05 0.844 . . . . 0.0 112.644 -173.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -59.72 -49.79 76.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.051 0.453 . . . . 0.0 111.164 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB2' HE21 ' A' ' 53' ' ' GLN . 80.5 mt -66.51 -47.23 73.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.278 -174.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.922 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 15.8 tt -68.74 -30.15 46.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.799 -175.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.93 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.341 . . . . 0.0 110.667 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -73.88 -32.01 63.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.893 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.922 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 48.3 mtpt -53.74 -46.98 71.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.314 0.578 . . . . 0.0 109.883 170.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.53 ' HB2' HD21 ' B' ' 34' ' ' LEU . 57.9 t80 -60.66 -53.05 62.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.409 177.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.596 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.99 -42.78 99.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.71 -176.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.32 -53.8 53.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.674 0.273 . . . . 0.0 110.567 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.43 -35.41 70.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.759 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -69.96 -40.78 75.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 23.2 mmt -73.43 -32.97 64.69 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -71.83 -22.03 61.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.007 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.9 m -105.04 7.46 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.097 0.475 . . . . 0.0 110.745 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.536 HD13 HD13 ' B' ' 45' ' ' LEU . 58.6 tp -80.11 87.37 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.988 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -68.57 99.58 1.0 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.189 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.479 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 22.2 m -108.86 135.09 20.15 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.311 176.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 71' ' ' THR . 16.1 Cg_exo -69.75 38.1 0.25 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.203 2.602 . . . . 0.0 113.245 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HA ' HD21 ' A' ' 76' ' ' LEU . 51.2 mttp -137.71 22.17 2.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.038 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.8 p -63.23 -49.15 75.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.427 176.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -137.24 113.87 10.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.488 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.427 HD21 ' HA ' ' A' ' 73' ' ' LYS . 97.5 mt -103.61 126.41 50.73 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.975 -178.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -87.68 97.63 10.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.409 0.623 . . . . 0.0 110.885 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -92.6 106.59 18.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 172.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -56.39 121.99 10.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.304 -0.862 . . . . 0.0 113.224 -167.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 70.88 -175.65 0.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.304 -1.317 . . . . 0.0 112.203 171.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -104.45 129.27 52.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.272 0.558 . . . . 0.0 111.924 -170.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -121.65 -2.74 9.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.647 175.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 . . . . . 0 C--O 1.246 0.905 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.648 177.732 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.635 0.255 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.02 94.53 0.55 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.428 2.085 . . . . 0.0 111.976 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.6 tt -131.94 124.57 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.071 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.7 m 72.24 140.09 0.05 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.352 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -60.97 137.4 58.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -77.03 -43.48 34.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.428 -176.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.436 ' OH ' ' HB2' ' A' ' 31' ' ' GLU . 98.6 m-85 61.56 -161.89 0.28 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.558 0.536 . . . . 0.0 109.95 -173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' B' ' 11' ' ' GLN . 2.0 p -87.42 126.12 34.69 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 172.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -65.03 -35.14 80.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.788 0.327 . . . . 0.0 110.776 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.49 -36.22 79.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.275 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLN . . . . . 0.529 ' HB2' ' OG1' ' B' ' 8' ' ' THR . 38.6 tt0 -63.82 -58.79 5.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.263 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' A' ' 32' ' ' LEU . 45.5 t -52.6 -56.8 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.309 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -50.75 -51.54 49.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.309 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -84.3 -19.3 33.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.994 -169.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . 0.512 HG13 ' O ' ' B' ' 11' ' ' GLN . 76.4 mt -70.53 -41.31 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 170.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.613 HD23 HG23 ' A' ' 36' ' ' ILE . 95.7 mt -56.59 -41.84 77.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.228 174.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.77 87.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.221 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.413 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.8 mt-10 -67.03 -44.32 80.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.895 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 78.5 t -60.8 -49.96 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 111.015 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.48 -32.84 74.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.33 -43.27 95.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.339 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 18' ' ' GLU . 99.2 t -61.74 -41.5 90.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.341 0.591 . . . . 0.0 110.313 178.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.527 HD13 HG23 ' B' ' 33' ' ' THR . 63.9 mt -64.8 -46.17 83.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.693 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.34 -37.54 85.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.058 0.456 . . . . 0.0 110.378 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -63.68 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -87.39 7.37 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.33 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.6 36.62 16.68 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.51 0.506 . . . . 0.0 111.218 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.495 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -67.46 114.82 6.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.808 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.457 ' OG ' ' HD2' ' B' ' 30' ' ' PRO . 4.9 t -71.48 153.64 93.7 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.246 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' PRO . . . . . 0.457 ' HD2' ' OG ' ' B' ' 29' ' ' SER . 8.7 Cg_exo -35.19 -53.35 0.73 Allowed 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.297 3.331 . . . . 0.0 114.371 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -57.78 -46.25 84.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.889 0.376 . . . . 0.0 111.199 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.558 ' O ' HG12 ' B' ' 36' ' ' ILE . 53.9 tp -64.86 -47.75 76.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.979 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' THR . . . . . 0.527 HG23 HD13 ' B' ' 23' ' ' LEU . 52.4 m -55.2 -50.68 68.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.586 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 61' ' ' PHE . 6.6 tt -69.71 -34.67 74.22 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.345 -176.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 39.9 ttp -69.36 -30.45 68.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.259 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.614 HG23 HD23 ' A' ' 16' ' ' LEU . 23.9 mm -58.11 -50.25 78.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 172.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.12 81.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.008 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.84 -42.91 99.74 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.148 -0.549 . . . . 0.0 112.169 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -63.44 -41.84 98.67 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.564 HG12 ' O ' ' B' ' 36' ' ' ILE . 50.2 mm -54.46 -52.89 35.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.682 178.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -60.62 -43.59 97.32 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.686 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 85.6 m -58.37 -49.93 75.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' B' ' 47' ' ' GLN . 92.7 m-20 -56.98 -46.54 82.16 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 121.04 0.448 . . . . 0.0 110.313 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' B' ' 48' ' ' ARG . 55.7 t -61.32 -42.5 93.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.536 HD13 HD13 ' A' ' 69' ' ' LEU . 95.1 mt -63.08 -23.68 67.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.931 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -90.06 -46.87 8.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.86 179.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' B' ' 43' ' ' ASN . 5.9 pt20 -134.35 26.26 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -166.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.581 ' HB2' HG13 ' B' ' 44' ' ' VAL . 12.7 mmm180 -142.02 -36.23 0.42 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.347 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.528 HG21 HG21 ' B' ' 57' ' ' ILE . 9.9 p -88.37 152.93 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.18 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 152.55 44.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.438 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.37 -46.9 87.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.351 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -29.59 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.299 0.571 . . . . 0.0 110.092 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -88.54 -6.39 57.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.441 -176.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -60.03 -66.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -168.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -72.32 -30.4 64.74 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.844 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.99 -45.73 91.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.963 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.528 HG21 HG21 ' B' ' 49' ' ' VAL . 9.8 tt -72.86 -26.16 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.3 82.25 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.112 0.482 . . . . 0.0 110.134 174.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.89 -47.26 72.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.15 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' B' ' 57' ' ' ILE . 86.9 tttt -52.73 -49.72 64.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.262 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -69.17 -48.76 61.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.517 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.88 -43.39 94.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.403 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.98 -36.95 80.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.094 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.62 96.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.035 0.445 . . . . 0.0 110.146 176.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 25.3 tp -63.49 -40.63 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.358 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.6 mmt -72.97 -29.49 63.1 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.357 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 27.1 t -72.85 -24.02 60.83 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 176.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -98.4 9.19 43.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.547 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.58 105.99 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.225 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.99 105.39 2.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.912 0.387 . . . . 0.0 111.039 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.1 t -125.87 82.47 64.29 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-O 121.664 0.745 . . . . 0.0 110.057 173.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -91.32 109.63 0.31 Allowed 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 123.242 2.628 . . . . 0.0 112.113 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -83.57 9.03 12.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.481 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -73.43 102.41 3.77 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.318 0.58 . . . . 0.0 111.733 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -118.09 6.31 12.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 33.8 tp -81.34 -6.13 58.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.118 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -113.53 150.12 33.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.279 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -110.41 134.4 52.35 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 50.81 22.52 1.17 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.246 1.018 . . . . 0.0 113.017 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -120.57 21.17 11.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.015 0.912 . . . . 0.0 108.671 171.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -130.46 32.48 4.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.443 -1.253 . . . . 0.0 107.896 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -102.15 125.82 48.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.54 -172.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 20.9 p80 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.279 176.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.733 0.301 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.509 HG22 ' HB3' ' A' ' 10' ' ' GLU . 23.4 m -64.3 125.94 26.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.588 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -65.16 -32.65 74.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.707 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.509 ' HB3' HG22 ' A' ' 8' ' ' THR . 10.7 tp10 -52.53 -52.82 52.89 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.166 0.507 . . . . 0.0 109.733 171.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.55 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.2 tt0 -59.72 -55.03 39.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.922 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.1 t -57.3 -49.81 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.53 -176.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.08 -42.84 95.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.091 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 31.4 mmtp -67.97 -33.77 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.109 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 11' ' ' GLN . 61.3 mt -69.33 -44.36 80.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 95.7 mt -56.62 -42.17 78.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.6 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.64 85.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.14 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.16 -38.19 72.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.429 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG13 HG13 ' B' ' 19' ' ' VAL . 79.8 t -64.21 -48.28 86.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.883 0.373 . . . . 0.0 110.543 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.96 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.689 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.543 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 10.1 tt -61.36 -40.52 94.6 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.119 177.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.61 -37.26 79.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.188 0.518 . . . . 0.0 110.695 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 33' ' ' THR . 80.4 mt -70.14 -43.39 71.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.453 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.24 -37.37 85.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.39 0.614 . . . . 0.0 109.992 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 2.9 tmtt? -56.78 -38.62 72.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.383 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -103.23 11.9 36.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.487 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.63 42.69 29.23 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.485 0.491 . . . . 0.0 111.543 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -61.91 123.69 18.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.197 0.522 . . . . 0.0 111.612 -177.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.519 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 10.4 m -76.48 163.75 64.05 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.823 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 3.3 Cg_endo -46.45 -55.31 3.86 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.372 2.715 . . . . 0.0 114.304 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.77 -41.88 99.44 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.998 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.608 ' O ' HG12 ' A' ' 36' ' ' ILE . 47.4 tp -59.25 -47.66 84.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.504 HG23 HD13 ' A' ' 23' ' ' LEU . 85.8 m -52.61 -51.87 58.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.429 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.58 -32.05 62.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.744 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.9 ttp -71.05 -30.77 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.515 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 32' ' ' LEU . 26.8 mm -60.72 -46.8 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.27 85.04 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.018 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.429 ' CA ' ' HE1' ' B' ' 61' ' ' PHE . . . -61.48 -46.39 94.44 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.381 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -61.05 -38.5 86.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.655 0.264 . . . . 0.0 110.836 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 44' ' ' VAL . 81.9 mt -59.13 -55.18 25.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.398 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.6 -40.82 88.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.7 m -58.76 -49.63 76.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -59.96 -42.12 93.4 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.991 0.424 . . . . 0.0 110.751 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 40' ' ' ILE . 65.9 t -61.5 -45.35 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.063 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 91.6 mt -68.69 -12.84 61.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.665 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.52 -56.2 2.68 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.87 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -107.29 -23.14 12.35 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.681 ' HB3' ' HB3' ' B' ' 30' ' ' PRO . 45.8 mtt180 -99.87 -39.73 8.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -170.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 4.6 p -86.72 164.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.03 154.26 23.36 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.6 74.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.648 0.261 . . . . 0.0 111.345 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -65.8 -32.87 74.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.275 0.56 . . . . 0.0 110.774 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.5 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 11.0 tp60 -85.35 -6.24 59.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.47 -176.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -67.5 -60.2 2.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.173 -167.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 48.7 tptt -62.54 -38.29 89.46 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.176 -0.209 . . . . 0.0 110.887 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.2 -50.94 66.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -64.23 -31.3 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -178.183 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.84 -46.06 69.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.793 176.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 23.9 mm-40 -63.15 -42.94 99.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.953 0.406 . . . . 0.0 110.07 176.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -54.4 -45.72 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.142 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.482 ' HB2' HD21 ' B' ' 34' ' ' LEU . 58.3 t80 -63.35 -48.39 78.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.099 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -62.55 -44.54 96.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.423 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -66.44 -38.5 87.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.128 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.48 -31.34 72.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.14 0.495 . . . . 0.0 110.31 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.0 tp -74.96 -37.38 61.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.649 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 29.6 mmt -65.42 -36.29 83.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 110.63 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -79.92 -25.32 40.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.19 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -83.47 -13.76 53.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.198 0.523 . . . . 0.0 110.202 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.594 HD21 ' HG2' ' B' ' 54' ' ' ARG . 6.4 tt . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.511 ' HB ' ' CB ' ' B' ' 11' ' ' GLN . 11.2 m . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -60.73 -48.09 83.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.754 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 42.2 tt0 -63.41 -33.06 74.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.421 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.511 ' CB ' ' HB ' ' B' ' 8' ' ' THR . 7.6 tt0 -62.8 -45.83 90.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.196 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.29 -45.59 85.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.286 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.87 -45.21 86.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.827 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 47.4 mmtm -66.13 -39.69 90.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 -177.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.473 ' O ' HG23 ' B' ' 19' ' ' VAL . 79.1 mt -62.86 -46.55 96.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.786 0.327 . . . . 0.0 110.148 176.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.407 HD23 HG23 ' A' ' 36' ' ' ILE . 82.6 mt -57.63 -41.52 81.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.35 95.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.286 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.446 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.2 mt-10 -68.5 -36.79 79.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.182 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 15' ' ' ILE . 82.1 t -63.76 -45.9 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.283 176.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -63.15 -32.12 73.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.754 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.29 -40.63 96.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.089 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 18' ' ' GLU . 95.0 t -65.66 -36.22 77.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.009 0.433 . . . . 0.0 110.433 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 81.2 mt -62.24 -48.03 81.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.113 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.55 -39.67 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.241 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.78 -22.06 45.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.776 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -124.07 13.25 9.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.53 45.77 27.97 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.507 0.504 . . . . 0.0 111.777 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.05 127.24 31.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.885 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.496 ' HB2' ' HD2' ' B' ' 30' ' ' PRO . 81.2 p -69.6 164.38 50.77 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.304 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.681 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 9.8 Cg_endo -53.8 -47.81 25.18 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.556 2.171 . . . . 0.0 111.907 176.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.97 -50.25 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.415 ' O ' HG13 ' B' ' 36' ' ' ILE . 56.8 tp -59.04 -45.93 89.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.176 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 57.4 m -56.36 -52.8 63.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.493 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' ' 61' ' ' PHE . 6.6 tt -67.76 -35.04 77.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.523 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 31.9 ttp -68.63 -32.82 72.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.914 0.388 . . . . 0.0 110.602 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.457 ' O ' HG13 ' B' ' 40' ' ' ILE . 33.5 mt -62.51 -43.77 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.244 174.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.96 79.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.126 0.488 . . . . 0.0 110.227 175.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.407 ' CA ' ' HE1' ' A' ' 61' ' ' PHE . . . -61.19 -46.51 94.34 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.035 175.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -58.06 -39.75 79.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.606 0.241 . . . . 0.0 110.865 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.596 ' O ' HG23 ' B' ' 44' ' ' VAL . 64.5 mt -58.34 -58.22 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -58.81 -36.95 75.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -59.61 -48.27 82.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -63.36 -35.81 81.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.626 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.664 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 47.2 t -60.25 -52.56 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.026 0.441 . . . . 0.0 110.044 175.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' B' ' 54' ' ' ARG . 82.7 mt -69.54 -13.1 62.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.797 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -99.73 -37.98 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -145.57 31.05 1.08 Allowed 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 118.68 0.673 . . . . 0.0 110.597 -166.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.664 ' HB3' ' HA ' ' B' ' 44' ' ' VAL . 19.9 ttm180 -155.61 -46.47 0.08 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.873 -0.731 . . . . 0.0 112.498 -169.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.501 HG21 HG21 ' B' ' 57' ' ' ILE . 2.6 p -86.02 164.44 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.761 0.315 . . . . 0.0 111.01 -177.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.77 139.5 38.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.521 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.57 74.99 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 122.533 0.333 . . . . 0.0 111.533 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.8 m -69.11 -31.89 70.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.139 0.495 . . . . 0.0 110.968 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.442 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.7 tp-100 -83.66 -16.28 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.019 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.594 ' HG2' HD21 ' A' ' 69' ' ' LEU . 10.9 ttp180 -57.53 -51.96 67.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.018 -167.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -75.05 -32.39 61.52 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.442 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -69.68 -50.95 38.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.501 HG21 HG21 ' B' ' 49' ' ' VAL . 14.7 tt -66.47 -29.43 46.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.01 -41.27 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.823 0.344 . . . . 0.0 110.452 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.57 -42.45 91.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.866 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.6 -42.81 88.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.834 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.429 ' HE1' ' CA ' ' A' ' 38' ' ' GLY . 77.7 t80 -60.95 -54.92 39.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.992 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -58.47 -43.58 88.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.273 -178.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -42.7 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.75 91.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.511 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 22.6 tp -65.99 -36.6 83.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.855 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 30.7 mmt -68.16 -36.91 80.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.889 0.376 . . . . 0.0 110.611 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.9 p -82.81 -7.53 59.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.066 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.6 m -103.39 -2.05 27.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.362 0.601 . . . . 0.0 110.083 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 N--CA 1.451 -0.382 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.084 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 121.254 0.55 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.503 ' HB ' ' HG3' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -57.06 127.27 31.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.052 178.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.76 -46.59 77.84 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.83 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' OE1' HG22 ' A' ' 8' ' ' THR . 1.5 pm0 -58.47 -34.07 70.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.408 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.503 ' HG3' ' HB ' ' A' ' 8' ' ' THR . 24.1 mt-30 -66.58 -51.51 55.6 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.69 -53.35 50.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.152 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.37 -50.46 65.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.996 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 47.8 mttm -79.39 -24.08 42.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.611 -169.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 19' ' ' VAL . 79.7 mt -72.05 -42.16 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 172.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.572 HD23 HG23 ' B' ' 36' ' ' ILE . 80.0 mt -56.41 -43.85 79.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.121 173.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.51 -44.34 84.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.341 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 47.2 mt-10 -69.18 -43.23 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.075 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 94.2 t -59.35 -48.23 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.458 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.11 73.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.25 -40.94 90.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.19 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.4 t -60.54 -42.02 89.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.135 0.493 . . . . 0.0 109.986 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 70.4 mt -60.74 -54.1 49.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.29 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.44 -29.34 70.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.84 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.13 -41.08 86.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.089 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -98.58 13.2 32.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.28 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.41 37.16 13.81 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.074 0.464 . . . . 0.0 111.308 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.51 116.72 8.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.112 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.501 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 15.4 m -68.77 161.63 69.89 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.72 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.853 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 6.1 Cg_endo -49.5 -39.26 45.29 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.306 2.67 . . . . 0.0 112.706 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.24 -50.92 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.263 177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 36' ' ' ILE . 25.0 tp -63.44 -29.31 70.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.7 m -59.25 -56.76 18.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.154 0.502 . . . . 0.0 110.795 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tt -71.53 -27.79 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.494 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 25.9 ttt -60.55 -44.47 96.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.058 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 32' ' ' LEU . 30.1 mm -59.52 -45.13 94.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.328 175.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.79 78.16 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.557 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.62 -38.59 96.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.175 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -66.46 -34.66 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.662 0.268 . . . . 0.0 110.418 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 36' ' ' ILE . 47.1 mm -61.99 -53.85 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.194 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.11 -43.31 82.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.034 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.9 m -63.04 -44.58 95.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -59.53 -41.05 89.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.193 0.521 . . . . 0.0 110.07 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.775 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 98.9 t -61.82 -46.79 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.007 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.509 ' HA ' HG11 ' A' ' 49' ' ' VAL . 95.9 mt -61.15 -26.32 67.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.074 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -73.41 -61.47 1.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.17 -42.61 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -171.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.775 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 13.7 mtt85 -79.87 33.0 0.26 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG11 ' HA ' ' A' ' 45' ' ' LEU . 4.9 p -153.84 168.64 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.481 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.3 150.3 20.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.513 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.06 -59.4 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -70.97 -17.21 62.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.722 ' HG3' HG12 ' A' ' 57' ' ' ILE . 13.6 tp60 -85.42 -21.46 28.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.57 -176.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 16.7 mtm-85 -53.99 -43.01 69.65 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 30.0 mmtp -64.37 -42.16 96.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.603 0.239 . . . . 0.0 111.396 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -72.19 -45.69 59.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.787 0.327 . . . . 0.0 110.156 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.722 HG12 ' HG3' ' A' ' 53' ' ' GLN . 17.1 mm -56.14 -50.71 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.748 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.13 83.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.664 0.269 . . . . 0.0 111.514 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -67.36 -46.77 72.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.353 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.17 -36.4 84.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.818 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -61.29 -49.94 75.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.395 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -62.99 -43.98 97.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -66.4 -42.82 87.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.747 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.04 -33.74 76.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.574 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.32 -39.78 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.92 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 25.1 mmt -69.96 -33.45 72.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.491 176.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.3 t -71.06 -33.02 69.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.411 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -94.95 6.41 49.14 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.306 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.624 HD13 HD13 ' B' ' 45' ' ' LEU . 64.3 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.366 177.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.51 ' OG1' ' HB2' ' B' ' 11' ' ' GLN . 82.5 p . . . . . 0 C--O 1.236 0.353 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -62.27 -34.68 77.02 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.664 0.268 . . . . 0.0 110.684 -177.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.679 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 0.5 OUTLIER -72.42 -36.95 68.72 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.609 179.335 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.51 ' HB2' ' OG1' ' B' ' 8' ' ' THR . 51.3 tt0 -56.84 -49.9 74.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.187 0.517 . . . . 0.0 110.855 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.37 -41.66 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.122 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.62 -41.35 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.992 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 32.3 mmtp -63.5 -50.65 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.84 -44.49 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.855 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.54 -43.43 79.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.191 176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.43 98.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.411 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.0 mt-10 -64.05 -48.18 77.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.782 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 93.9 t -60.14 -45.42 95.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.557 178.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.77 86.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.854 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.53 -41.56 97.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.514 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.4 t -62.81 -44.94 99.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.968 0.413 . . . . 0.0 110.119 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 76.0 mt -62.79 -50.19 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.71 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -39.59 94.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.591 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.26 -41.57 99.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.767 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -83.61 -2.32 55.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.398 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.01 46.79 10.47 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.66 0.6 . . . . 0.0 110.695 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 118.96 9.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.26 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.8 p -69.61 161.39 74.55 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.236 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.06 -44.25 43.45 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.962 2.441 . . . . 0.0 112.329 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.47 -54.84 41.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.418 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.408 ' O ' HG13 ' B' ' 36' ' ' ILE . 53.1 tp -59.09 -44.39 91.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.649 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 92.5 m -55.5 -51.99 65.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.66 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.13 -32.72 61.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.71 -175.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttp -64.03 -34.6 78.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.998 0.428 . . . . 0.0 109.923 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.572 HG23 HD23 ' A' ' 16' ' ' LEU . 54.6 mt -62.32 -46.8 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.331 174.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.37 86.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.13 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.43 96.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.251 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -67.17 -40.54 86.62 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 36' ' ' ILE . 87.8 mt -57.86 -52.62 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.487 176.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.54 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.04 -48.08 82.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.147 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 14.8 p -66.19 -34.98 79.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.297 . . . . 0.0 111.405 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -66.71 -37.79 85.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.315 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.573 ' HA ' ' O ' ' B' ' 47' ' ' GLN . 98.8 t -70.38 -36.93 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 110.192 174.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.624 HD13 HD13 ' A' ' 69' ' ' LEU . 95.1 mt -69.4 -11.12 60.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.23 0.538 . . . . 0.0 110.652 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.83 -48.46 5.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.101 171.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.573 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 47.8 mt-30 -132.31 137.64 47.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.776 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.853 ' HB3' ' HB3' ' A' ' 30' ' ' PRO . 50.9 mtt180 91.62 14.1 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.931 1.292 . . . . 0.0 111.839 175.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.499 HG11 ' HA ' ' B' ' 45' ' ' LEU . 1.3 p -139.38 147.15 24.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.417 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.6 140.11 51.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.48 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -37.99 86.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.184 176.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -68.48 -33.12 73.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.233 0.54 . . . . 0.0 110.298 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.631 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.3 tp-100 -87.69 -3.51 58.96 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.37 -177.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.594 ' HG3' HD11 ' A' ' 69' ' ' LEU . 16.7 tpp85 -53.73 -65.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -170.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 10.2 tmtt? -75.86 -26.79 57.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.183 0.516 . . . . 0.0 109.924 -175.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 2.9 tt -70.95 -47.28 59.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.828 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.631 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.0 tt -69.21 -33.13 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.435 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.82 95.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.186 0.517 . . . . 0.0 109.987 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -61.84 -47.13 86.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.079 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 29.1 mtpp -60.77 -42.14 96.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.786 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -59.34 -44.87 92.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.055 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.01 90.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.94 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -62.11 -39.96 94.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.989 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.74 91.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.878 0.371 . . . . 0.0 110.722 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.97 -33.96 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.412 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -23.98 62.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 176.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 32.3 t -80.05 -32.37 39.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.769 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 27.4 p -82.61 -25.92 32.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.344 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 C--O 1.234 0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.55 174.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.411 ' HB3' ' H ' ' A' ' 8' ' ' THR . 64.0 m-85 . . . . . 0 N--CA 1.466 0.341 0 CA-C-O 121.13 0.491 . . . . 0.0 111.33 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.411 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 5.7 m -85.41 125.98 33.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.15 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.38 -55.74 22.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.914 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.0 pm0 -59.41 -36.68 76.31 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.865 -176.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -57.94 -50.59 72.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG22 HD11 ' B' ' 32' ' ' LEU . 61.4 t -63.84 -52.18 60.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.602 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.41 -41.88 97.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.074 -175.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 68.2 mmtt -70.47 -40.57 73.59 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.127 -176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 19' ' ' VAL . 77.1 mt -60.21 -44.96 96.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.158 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.79 -47.22 83.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.952 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.78 89.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.583 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.6 mm-40 -66.41 -53.92 30.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.8 t -56.48 -49.76 75.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.344 -177.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.4 84.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.538 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.18 -40.45 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.697 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 18' ' ' GLU . 95.5 t -62.28 -42.98 97.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.076 0.465 . . . . 0.0 110.362 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 74.0 mt -62.72 -51.61 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.473 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -65.08 -33.32 75.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.543 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -65.06 -38.56 91.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.868 0.366 . . . . 0.0 110.796 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -84.02 5.8 24.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.409 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.3 38.43 19.74 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.242 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 138.32 55.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.815 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -84.84 161.09 54.23 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.53 -34.61 43.07 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.767 2.311 . . . . 0.0 112.731 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -61.53 -44.41 97.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.386 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.507 ' O ' HG12 ' A' ' 36' ' ' ILE . 44.5 tp -71.12 -38.67 72.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.413 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.5 m -56.39 -50.5 71.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.316 0.579 . . . . 0.0 110.775 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tt -74.21 -26.86 60.5 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.07 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.1 ttm -63.94 -39.91 95.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.05 0.452 . . . . 0.0 110.149 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 32' ' ' LEU . 36.1 mm -61.93 -46.11 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.841 176.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.91 81.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.785 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.61 -46.98 93.16 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.267 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -57.83 -41.73 82.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.557 0.218 . . . . 0.0 110.646 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 44' ' ' VAL . 75.8 mt -56.53 -60.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.432 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.59 91.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.43 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 85.9 m -60.6 -46.62 89.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -72.2 -30.81 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.706 0.289 . . . . 0.0 110.779 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 70.8 t -62.68 -51.36 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD13 HD13 ' B' ' 69' ' ' LEU . 82.0 mt -68.74 -11.73 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.189 0.519 . . . . 0.0 110.838 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' A' ' 42' ' ' THR . 1.9 t-20 -90.39 -48.25 7.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.487 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -130.63 -49.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.624 -174.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.577 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 20.0 mtp180 -86.89 40.15 0.89 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -167.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG21 HG21 ' A' ' 57' ' ' ILE . 4.7 p -151.0 151.35 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -70.8 146.11 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.271 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.2 -42.73 81.81 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.157 0.286 . . . . 0.0 111.266 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 m -62.73 -39.64 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.287 0.565 . . . . 0.0 110.588 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 7.9 tp60 -82.97 -10.19 58.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.088 -173.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' HD11 ' B' ' 69' ' ' LEU . 18.9 ttm180 -60.09 -58.14 9.81 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.786 -172.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -34.93 74.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.118 0.485 . . . . 0.0 110.35 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.5 -48.78 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.675 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.524 HG21 HG21 ' A' ' 49' ' ' VAL . 12.4 tt -72.06 -27.8 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.672 -175.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.55 80.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 110.097 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -65.19 -43.74 90.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.769 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -56.39 -52.05 66.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.633 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.521 ' HB2' HD21 ' B' ' 34' ' ' LEU . 65.9 t80 -52.65 -53.92 40.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.928 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.92 73.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.508 -175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.448 HE21 ' HB3' ' A' ' 63' ' ' GLN . 12.9 mt-30 -63.03 -40.56 98.1 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.947 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.47 98.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.632 0.253 . . . . 0.0 110.329 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.8 tp -60.22 -42.12 94.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.807 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -14.35 60.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.237 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.1 m -87.71 -36.36 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.773 0.321 . . . . 0.0 110.553 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.3 p -86.96 0.83 54.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.229 0.538 . . . . 0.0 110.747 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.668 HD11 ' HG2' ' B' ' 54' ' ' ARG . 18.3 tp . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.247 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m . . . . . 0 C--O 1.235 0.296 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -56.59 -39.87 74.27 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.943 -176.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -53.33 -47.42 69.34 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.22 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -57.01 -52.06 66.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.669 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -58.59 -55.06 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.298 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.74 -43.97 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.626 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -77.16 -27.0 53.63 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.606 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.406 ' O ' HG23 ' B' ' 19' ' ' VAL . 70.5 mt -69.97 -41.39 79.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 171.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.28 -37.69 75.5 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.322 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.93 96.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.05 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HG23 ' B' ' 22' ' ' VAL . 42.9 mt-10 -63.99 -41.18 97.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.446 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.491 HG13 HG22 ' A' ' 19' ' ' VAL . 96.4 t -64.48 -42.42 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.751 177.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.51 -37.55 78.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.131 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -67.87 -34.97 77.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.642 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 18' ' ' GLU . 64.2 t -62.83 -40.39 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.083 0.468 . . . . 0.0 109.791 174.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 71.0 mt -66.21 -40.98 90.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.362 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.68 -41.9 82.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.244 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -72.93 3.11 5.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.976 0.417 . . . . 0.0 111.185 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -131.32 5.2 4.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.18 172.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 45.18 51.91 8.87 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 123.99 0.806 . . . . 0.0 112.122 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.532 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -57.61 117.56 4.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.216 -178.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -70.27 162.06 72.11 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.229 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.36 -51.02 11.91 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.042 2.495 . . . . 0.0 113.958 -175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -64.04 -37.87 88.99 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' B' ' 28' ' ' ALA . 52.5 tp -64.47 -45.43 87.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.197 176.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -54.62 -52.73 61.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.377 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 61' ' ' PHE . 7.3 tt -73.71 -32.27 63.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -175.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.3 ttm -62.18 -42.02 98.88 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.626 ' O ' HG12 ' B' ' 40' ' ' ILE . 36.8 mt -60.45 -44.36 96.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.593 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.87 88.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.945 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.44 -37.87 94.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.109 -0.567 . . . . 0.0 111.884 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -65.26 -41.42 94.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.626 HG12 ' O ' ' B' ' 36' ' ' ILE . 49.6 mm -53.69 -57.58 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.15 175.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.09 -49.8 74.75 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 91.4 m -53.72 -55.57 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.849 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -68.56 -38.24 80.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.361 . . . . 0.0 110.774 -173.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.12 -42.64 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.976 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 80.9 mt -65.25 -42.49 93.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.85 0.357 . . . . 0.0 111.424 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -80.15 -19.01 48.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -174.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -115.0 -60.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -86.39 -34.49 20.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -164.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' B' ' 45' ' ' LEU . 1.2 p -87.54 163.84 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.687 -176.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.06 134.95 44.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.89 67.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.613 0.244 . . . . 0.0 111.299 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.4 m -62.99 -35.35 79.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.193 0.52 . . . . 0.0 110.572 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.519 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 6.0 tp-100 -83.93 -22.94 31.34 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.179 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.668 ' HG2' HD11 ' A' ' 69' ' ' LEU . 39.3 ttm180 -48.31 -56.34 8.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.972 -167.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' B' ' 55' ' ' LYS . 12.5 tptm -74.55 -35.35 63.09 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.092 -176.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.54 -49.38 66.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.519 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 15.8 tt -65.24 -30.42 50.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.038 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.13 -44.61 75.71 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.962 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.33 -46.56 88.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' B' ' 57' ' ' ILE . 27.7 mtpp -54.69 -47.3 73.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.369 0.604 . . . . 0.0 110.253 175.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.424 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 56.9 t80 -62.74 -51.5 66.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.306 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.578 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.5 -44.45 93.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -51.77 68.01 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.57 77.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.76 -43.68 88.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.7 mmt -69.6 -29.9 67.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.878 0.37 . . . . 0.0 110.595 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.0 t -73.74 -26.54 60.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.984 0.421 . . . . 0.0 110.065 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 39.5 m -90.61 -7.9 51.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.585 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.491 HD13 HD13 ' A' ' 45' ' ' LEU . 61.0 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.762 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 . . . . . 0 C--O 1.231 0.11 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 11' ' ' GLN . 15.3 t -91.09 137.15 32.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 170.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.21 -43.68 78.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -169.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.89 -12.92 61.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.503 ' O ' HD13 ' A' ' 15' ' ' ILE . 53.6 tt0 -71.0 -60.13 2.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.76 -44.05 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.578 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.11 -43.91 82.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.451 -177.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.57 -34.9 58.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.552 -174.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.503 HD13 ' O ' ' A' ' 11' ' ' GLN . 1.8 mp -63.98 -47.15 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.655 173.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.419 HD23 HG23 ' B' ' 36' ' ' ILE . 79.1 mt -59.53 -41.63 90.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.197 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.65 73.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.387 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 22' ' ' VAL . 37.1 mt-10 -67.06 -39.15 86.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.824 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 72.8 t -65.03 -45.52 94.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.804 0.335 . . . . 0.0 110.998 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.88 85.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 0.0 110.779 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.72 -38.26 90.45 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.044 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.0 t -59.73 -42.83 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.225 0.536 . . . . 0.0 110.189 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 HG23 ' A' ' 33' ' ' THR . 53.6 mt -61.38 -45.96 92.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.484 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.3 -37.25 74.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.887 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.71 -35.75 80.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.33 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -95.83 2.45 53.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.907 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.63 48.04 23.39 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.577 0.548 . . . . 0.0 110.858 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.87 123.85 22.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.991 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -62.64 157.53 57.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.295 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.5 -45.88 37.84 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.659 2.24 . . . . 0.0 112.668 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -62.91 -45.15 93.85 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.068 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD11 HG22 ' B' ' 12' ' ' VAL . 44.2 tp -60.23 -45.34 93.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.692 0.282 . . . . 0.0 110.348 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.493 HG23 HD13 ' A' ' 23' ' ' LEU . 93.9 m -56.78 -54.69 43.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.753 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.525 ' HB2' HG11 ' B' ' 44' ' ' VAL . 6.4 tt -69.95 -33.27 71.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.771 -175.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttp -64.72 -37.12 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.064 0.459 . . . . 0.0 110.36 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.595 ' O ' HG12 ' A' ' 40' ' ' ILE . 36.4 mt -59.97 -45.83 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.589 175.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.28 78.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.031 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.99 -36.45 90.97 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.097 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -68.24 -33.13 73.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 36' ' ' ILE . 51.1 mm -59.56 -52.38 61.59 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.86 -42.95 80.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.782 176.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.7 m -62.13 -42.99 99.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -60.47 -41.98 95.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.216 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.044 ' HA ' ' HB3' ' A' ' 48' ' ' ARG . 97.2 t -59.27 -52.85 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.931 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 38.6 mt -63.53 -14.69 53.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.546 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HB3' ' HG3' ' A' ' 47' ' ' GLN . 3.1 m-80 -90.38 -57.63 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 44.7 mt-30 -132.41 7.53 4.21 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.724 -168.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 1.044 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 11.9 ttt85 -133.77 23.15 3.94 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.708 -165.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 57' ' ' ILE . 8.7 p -160.02 158.55 2.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.292 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -75.83 141.55 42.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.498 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -36.15 78.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -66.29 -15.18 63.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.139 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -111.08 -4.88 14.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.698 -169.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 99.4 mtt180 -68.27 -35.75 78.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -169.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -74.47 -46.84 37.01 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.331 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.8 -49.08 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.314 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.537 HG21 HG21 ' A' ' 49' ' ' VAL . 13.8 tt -70.38 -29.4 38.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.213 -173.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.73 70.85 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.956 0.408 . . . . 0.0 110.642 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 70.3 mt-10 -68.64 -40.44 80.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.792 178.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' A' ' 57' ' ' ILE . 28.4 ttpp -56.53 -39.57 73.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.303 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' B' ' 34' ' ' LEU . 88.5 t80 -60.26 -54.77 41.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.754 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.74 80.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.423 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 59' ' ' GLU . 16.8 mm100 -58.16 -41.62 84.19 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.046 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.28 82.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.864 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.6 tp -64.91 -42.82 94.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.86 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -71.36 -24.65 62.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 179.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.3 m -73.96 -26.67 60.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.005 0.431 . . . . 0.0 110.39 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -101.14 10.15 41.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.23 0.538 . . . . 0.0 111.281 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.696 HD13 HD13 ' B' ' 45' ' ' LEU . 53.1 tp . . . . . 0 CA--C 1.535 0.385 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.59 0.233 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -52.68 -41.16 63.61 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.715 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -56.38 -39.82 73.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.441 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -66.85 -52.18 46.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.634 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.432 HG22 HD11 ' A' ' 32' ' ' LEU . 58.4 t -60.35 -45.97 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.491 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.84 -42.52 93.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -45.61 91.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.845 -176.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.439 ' O ' HG23 ' B' ' 19' ' ' VAL . 54.5 mt -64.72 -43.94 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.166 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.587 HD23 HG23 ' A' ' 36' ' ' ILE . 91.2 mt -56.69 -46.74 80.99 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -56.84 -46.36 81.77 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.97 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.5 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.1 mt-10 -68.79 -41.53 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.121 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 15' ' ' ILE . 70.7 t -60.23 -45.44 96.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.901 0.381 . . . . 0.0 110.518 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -36.38 83.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.713 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 48.9 mt -67.66 -29.72 69.07 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.509 178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 18' ' ' GLU . 93.7 t -66.02 -35.44 75.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.48 0.657 . . . . 0.0 109.584 175.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.471 HD13 HG23 ' B' ' 33' ' ' THR . 79.3 mt -71.52 -46.24 60.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.229 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -27.24 68.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 86.4 tttt -63.57 -41.54 98.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.319 178.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -102.77 10.79 38.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.453 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.33 47.8 13.41 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.345 0.593 . . . . 0.0 111.011 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.59 135.59 45.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.463 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' B' ' 30' ' ' PRO . 68.2 p -69.61 163.57 58.19 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.519 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.438 ' O ' ' HB ' ' B' ' 33' ' ' THR . 10.9 Cg_endo -56.08 -42.72 63.62 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.467 2.112 . . . . 0.0 111.605 174.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.84 -48.6 78.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.07 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.635 ' O ' HG12 ' B' ' 36' ' ' ILE . 55.0 tp -59.2 -43.43 92.25 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.471 HG23 HD13 ' B' ' 23' ' ' LEU . 54.4 m -51.71 -55.7 18.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.255 176.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 61' ' ' PHE . 8.2 tt -68.92 -33.96 74.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.804 -176.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.3 ttp -68.2 -34.01 75.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.417 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.635 HG12 ' O ' ' B' ' 32' ' ' LEU . 24.9 mm -61.92 -44.55 99.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 174.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.8 -41.71 78.24 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.414 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.0 -46.84 93.77 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.924 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.85 -36.03 80.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 111.065 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.519 ' O ' HG23 ' B' ' 44' ' ' VAL . 81.5 mt -60.27 -55.45 24.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.29 -39.52 79.52 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.562 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.4 m -55.53 -54.35 45.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -58.73 -42.49 88.86 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.028 0.442 . . . . 0.0 110.318 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.623 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 42.1 t -61.58 -41.49 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.98 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.696 HD13 HD13 ' A' ' 69' ' ' LEU . 97.4 mt -76.85 -4.09 41.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.518 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -99.47 -61.97 1.3 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.924 0.392 . . . . 0.0 110.716 175.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -104.14 -39.66 6.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.243 -171.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.623 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 46.8 mtt180 -90.08 17.48 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -170.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.51 HG21 HG21 ' B' ' 57' ' ' ILE . 4.4 p -139.96 158.65 26.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.523 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 147.25 28.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.564 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.31 -41.25 84.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.572 0.225 . . . . 0.0 111.225 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 26.5 t -66.73 -23.34 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.792 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.412 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.9 tp-100 -95.13 -19.32 20.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 -176.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 69' ' ' LEU . 25.1 ttm-85 -53.3 -56.18 18.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.35 -169.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' B' ' 59' ' ' GLU . 11.3 tptm -67.33 -44.22 79.66 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.904 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.98 -51.39 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.391 -175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.51 HG21 HG21 ' B' ' 49' ' ' VAL . 16.0 tt -67.82 -31.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.022 -176.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.61 67.94 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.891 0.377 . . . . 0.0 110.703 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.474 ' HB2' ' HE2' ' B' ' 55' ' ' LYS . 35.4 tt0 -63.7 -50.33 69.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.834 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -58.61 -39.42 80.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.133 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -59.4 -47.82 83.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.008 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.48 -48.75 80.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.443 . . . . 0.0 110.579 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.77 -39.11 87.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.442 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.57 78.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.262 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 38.6 tp -61.28 -43.3 99.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.028 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -21.47 61.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.519 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -81.41 -34.39 31.59 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.9 t -72.03 -31.84 66.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.875 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.514 HD13 HD13 ' A' ' 45' ' ' LEU . 6.1 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.999 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.419 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 58.7 m-85 . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.816 0.341 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -79.98 132.26 35.99 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.782 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -60.33 -37.84 81.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.068 0.461 . . . . 0.0 110.561 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.8 -47.0 87.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.768 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 15' ' ' ILE . 34.0 mt-30 -63.63 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.884 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.57 -50.39 80.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.8 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -69.08 -27.08 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.16 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.32 -43.92 59.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.517 0.199 . . . . 0.0 110.854 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 11' ' ' GLN . 76.1 mt -65.07 -44.62 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.31 -41.64 80.27 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.983 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.11 70.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 22' ' ' VAL . 44.7 mt-10 -63.94 -42.32 97.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.27 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 74.3 t -63.26 -49.76 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 110.982 178.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.58 -31.68 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.943 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.08 -44.27 89.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.41 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 18' ' ' GLU . 88.2 t -60.94 -41.02 87.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.025 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.526 HD13 HG23 ' A' ' 33' ' ' THR . 73.3 mt -63.21 -49.34 74.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.556 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.72 -44.03 97.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.662 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.41 -33.73 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.119 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -88.02 5.69 39.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.152 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.91 37.77 21.41 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.607 0.567 . . . . 0.0 111.317 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.525 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -64.99 117.72 8.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.235 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.524 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 16.0 m -76.69 162.91 68.8 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.418 176.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 4.6 Cg_endo -46.16 -50.13 10.44 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.373 2.715 . . . . 0.0 113.259 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.93 -50.85 67.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' O ' HG12 ' A' ' 36' ' ' ILE . 46.0 tp -64.09 -39.8 94.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.707 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.526 HG23 HD13 ' A' ' 23' ' ' LEU . 35.0 m -59.78 -46.54 88.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.83 -178.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.432 HD22 HG12 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -70.44 -34.42 72.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.486 178.449 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -58.05 -43.38 86.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.931 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.566 HG12 ' O ' ' A' ' 32' ' ' LEU . 43.8 mm -58.28 -51.37 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.218 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.58 87.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.317 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.64 -44.04 95.87 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.692 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -63.53 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.889 -0.183 . . . . 0.0 110.892 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 36' ' ' ILE . 92.9 mt -56.67 -58.93 3.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.077 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.06 86.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.152 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -58.07 -51.6 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.109 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -60.77 -40.81 93.92 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.041 0.448 . . . . 0.0 110.602 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 40' ' ' ILE . 86.6 t -62.14 -47.31 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 58' ' ' ALA . 7.2 mp -71.05 -13.26 61.92 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.804 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.69 -47.12 10.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.805 0.336 . . . . 0.0 111.084 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -115.6 -44.67 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -172.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HB2' HG13 ' A' ' 44' ' ' VAL . 37.3 mmt180 -90.35 -8.21 51.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -164.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.521 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 1.4 p -110.74 162.29 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.484 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.96 139.43 42.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.581 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.59 -47.19 40.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.344 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 p -78.8 -20.92 48.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.63 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.71 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.46 -22.64 47.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.499 179.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 13.5 mtm180 -50.63 -54.31 23.84 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -173.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -63.69 -41.83 98.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.939 0.399 . . . . 0.0 110.434 -175.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.34 -50.68 29.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.684 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.529 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 9.4 tt -66.54 -33.29 62.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.529 0.204 . . . . 0.0 111.109 -174.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.652 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -68.11 -47.62 67.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.205 0.526 . . . . 0.0 110.561 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.62 -40.35 88.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.057 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -56.75 -48.1 78.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.304 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.791 ' HE2' ' HE1' ' B' ' 61' ' ' PHE . 90.4 t80 -61.83 -46.88 87.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.167 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.6 99.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.112 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.73 -34.87 77.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.63 -32.41 73.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 110.79 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.4 tp -73.84 -31.51 63.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.418 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.7 mmt -81.67 -20.88 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.372 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 p -88.08 -24.07 23.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.905 0.384 . . . . 0.0 110.629 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.2 p -92.71 5.35 51.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.269 0.556 . . . . 0.0 109.915 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.692 HD11 ' HG2' ' B' ' 54' ' ' ARG . 52.3 tp . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.551 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.98 0.419 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.3 -41.42 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.513 -176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 46.6 mt-10 -67.02 -40.34 87.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.491 ' O ' HG13 ' B' ' 15' ' ' ILE . 6.1 tp-100 -57.07 -46.44 82.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.017 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 32' ' ' LEU . 59.1 t -57.7 -47.41 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.426 178.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.06 -38.44 91.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.332 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 74.8 mmtt -66.14 -46.24 78.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.689 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 11' ' ' GLN . 67.6 mt -60.06 -43.06 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.437 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.42 HD23 HG23 ' A' ' 36' ' ' ILE . 93.1 mt -56.44 -43.28 79.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.0 90.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.5 mt-10 -66.54 -42.45 87.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.087 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.44 HG11 HD11 ' A' ' 40' ' ' ILE . 72.4 t -62.77 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.757 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.17 -32.93 74.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 tp -66.61 -37.66 85.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.951 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 18' ' ' GLU . 66.7 t -59.77 -42.3 88.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.33 0.586 . . . . 0.0 109.69 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.529 HD13 HG23 ' B' ' 33' ' ' THR . 48.7 mt -65.95 -41.87 90.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.161 177.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.68 -53.78 45.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.23 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -61.23 -27.22 68.28 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -95.06 2.56 55.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.294 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 53.26 47.43 24.34 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.492 0.495 . . . . 0.0 111.716 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.73 139.39 56.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.562 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -86.89 161.37 47.45 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.001 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.29 -51.32 9.69 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.306 2.671 . . . . 0.0 113.824 -177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.419 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 29.7 mm-40 -57.86 -50.71 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.928 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.549 ' O ' HG12 ' B' ' 36' ' ' ILE . 42.9 tp -59.32 -34.52 72.43 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.758 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.529 HG23 HD13 ' B' ' 23' ' ' LEU . 56.0 m -61.36 -50.8 71.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.994 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.44 -26.14 61.72 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.983 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 37.8 ttm -59.8 -42.58 93.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.549 HG12 ' O ' ' B' ' 32' ' ' LEU . 47.6 mm -61.22 -50.72 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.362 176.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 -49.37 77.33 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.405 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.21 -50.75 54.64 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.233 -0.508 . . . . 0.0 113.072 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.54 -35.21 73.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.856 0.328 . . . . 0.0 111.247 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 36' ' ' ILE . 65.0 mt -59.14 -53.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 175.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.609 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -60.34 -48.1 83.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.978 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.2 m -58.33 -42.04 85.92 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.556 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.06 -40.7 96.86 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.605 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' B' ' 47' ' ' GLN . 62.7 t -71.28 -34.17 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.821 0.343 . . . . 0.0 110.709 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.8 mt -61.85 -29.57 70.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.226 175.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.47 ' N ' HD22 ' B' ' 46' ' ' ASN . 0.9 OUTLIER -86.86 -46.19 10.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.292 0.567 . . . . 0.0 110.277 176.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.548 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 45.3 mt-30 -124.51 126.79 46.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.508 -175.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' B' ' 47' ' ' GLN . 58.0 mtm180 94.72 14.19 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.864 1.265 . . . . 0.0 112.088 175.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.53 HG21 HG21 ' B' ' 57' ' ' ILE . 1.4 p -140.48 153.69 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.317 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.37 147.25 38.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.18 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.12 75.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.726 0.298 . . . . 0.0 111.172 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.2 p -69.12 -42.84 75.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.0 110.707 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.837 ' HA ' HE21 ' B' ' 53' ' ' GLN . 0.0 OUTLIER -66.98 -26.86 67.02 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.601 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.692 ' HG2' HD11 ' A' ' 69' ' ' LEU . 33.0 ttm180 -49.06 -53.79 18.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.717 -172.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmpt? -69.45 -41.36 76.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.912 0.387 . . . . 0.0 110.401 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.58 -45.87 74.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.687 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.53 HG21 HG21 ' B' ' 49' ' ' VAL . 15.4 tt -70.17 -31.91 49.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.711 -176.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.55 73.41 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.07 0.462 . . . . 0.0 110.232 175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -72.44 -39.86 67.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.113 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -54.61 -47.62 73.18 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.159 172.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.791 ' HE1' ' HE2' ' A' ' 61' ' ' PHE . 52.7 t80 -54.78 -54.35 43.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.62 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -62.15 -46.26 89.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.416 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.59 -46.45 85.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.6 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.83 89.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.37 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.31 -42.21 98.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.867 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 17.7 mmt -76.71 -20.15 56.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.335 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 58.4 m -82.87 -23.83 33.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.595 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.7 p -94.32 -3.82 49.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.241 0.543 . . . . 0.0 110.188 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.424 HD13 HD23 ' A' ' 45' ' ' LEU . 51.1 tp . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.886 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.532 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 92.7 m-85 . . . . . 0 N--CA 1.466 0.357 0 CA-C-O 120.604 0.24 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.508 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 23.6 p -75.12 131.59 40.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -58.68 -46.77 86.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -171.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.508 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -57.64 -48.01 80.64 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 123.224 0.328 . . . . 0.0 110.472 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 15' ' ' ILE . 8.4 tt0 -53.58 -55.08 28.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.04 -45.84 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.989 0.423 . . . . 0.0 111.104 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -69.13 -35.29 76.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.02 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 5.9 mptp? -71.03 -40.03 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 11' ' ' GLN . 82.1 mt -62.4 -41.32 91.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.71 -40.13 86.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.655 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.36 87.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 48.2 mt-10 -64.81 -45.09 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.197 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' HD13 ' A' ' 23' ' ' LEU . 98.8 t -61.72 -45.07 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.25 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.036 0.446 . . . . 0.0 111.021 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -64.83 -34.96 79.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.104 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 18' ' ' GLU . 85.3 t -68.87 -39.37 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.297 0.57 . . . . 0.0 109.969 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 19' ' ' VAL . 3.9 mp -60.7 -49.0 79.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.134 176.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.07 -39.78 93.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.576 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -54.15 -42.14 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.837 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -105.32 7.5 33.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.533 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.67 47.37 10.64 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.135 0.493 . . . . 0.0 111.134 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.57 121.34 15.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.284 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.496 ' OG ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 t -77.04 152.59 82.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.817 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.496 ' HD2' ' OG ' ' A' ' 29' ' ' SER . 1.6 Cg_endo -45.82 -40.71 19.79 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.93 3.087 . . . . 0.0 114.128 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 1.7 mp0 -60.22 -45.64 92.51 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.301 0.572 . . . . 0.0 109.702 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.8 -37.42 87.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.112 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 m -56.29 -52.81 63.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.254 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.4 -23.82 57.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.964 0.411 . . . . 0.0 110.248 -177.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.8 ttm -62.72 -48.06 80.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.261 0.553 . . . . 0.0 109.741 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.5 mt -60.25 -40.87 85.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.096 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.55 79.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.951 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.43 -37.56 79.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.123 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -62.04 -42.87 99.64 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.495 ' O ' HG23 ' A' ' 44' ' ' VAL . 85.4 mt -58.42 -56.06 18.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.398 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.665 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -54.04 -52.83 59.61 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.424 -177.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.2 m -59.88 -45.72 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.418 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -64.1 -36.67 84.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.808 0.337 . . . . 0.0 110.807 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 40' ' ' ILE . 83.2 t -64.6 -42.0 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 175.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 76.6 mt -62.59 -33.6 75.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.539 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -72.24 -56.11 6.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.247 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -100.95 -39.59 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -165.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 48' ' ' ARG . 48.6 mtt180 -108.04 19.48 19.94 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -164.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 57' ' ' ILE . 3.1 p -144.27 158.96 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.245 176.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.17 144.48 48.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.94 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.94 -44.65 70.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.688 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.4 m -73.43 -20.0 60.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.368 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.894 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -85.76 -19.41 30.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.366 -178.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.813 ' HB3' HD11 ' B' ' 69' ' ' LEU . 88.0 mtt180 -51.94 -47.03 64.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.995 -175.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.733 ' HA ' HD21 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -60.82 -54.84 40.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.4 -52.79 63.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.814 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.508 HG21 HG21 ' A' ' 49' ' ' VAL . 11.6 tt -69.76 -24.65 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.383 -171.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.74 -42.95 57.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 110.646 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 55' ' ' LYS . 42.1 mt-10 -71.17 -33.02 69.62 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -53.43 -42.05 66.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.165 172.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.477 ' HB2' HD21 ' B' ' 34' ' ' LEU . 80.7 t80 -64.18 -53.21 52.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.784 176.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 66' ' ' MET . . . -62.8 -42.97 99.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.049 -174.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.54 -37.73 85.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.69 0.281 . . . . 0.0 110.792 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.39 82.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.014 0.435 . . . . 0.0 110.111 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.4 tp -63.98 -41.11 97.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.795 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -65.81 -28.92 69.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.672 -178.59 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 m -85.71 -25.38 26.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.844 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -89.08 5.59 43.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.386 0.612 . . . . 0.0 110.449 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.382 178.808 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.448 -0.545 0 CA-C-O 121.164 0.507 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.99 -20.51 66.53 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.637 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.36 -42.53 99.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.008 0.432 . . . . 0.0 110.31 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.415 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.5 tt0 -67.51 -48.06 68.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.033 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 46.2 t -63.63 -52.81 52.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.396 -177.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.63 -40.71 92.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.36 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -67.36 -46.35 73.62 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.17 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.424 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 74.2 mt -60.79 -41.49 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.537 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 90.6 mt -56.94 -44.31 82.37 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 177.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.91 95.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.011 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.464 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.3 mt-10 -61.27 -52.15 65.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.755 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 92.3 t -59.18 -49.4 83.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.52 79.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.254 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -67.52 -41.46 84.37 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 18' ' ' GLU . 91.9 t -60.99 -42.76 94.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.352 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 66.6 mt -61.73 -46.68 88.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.625 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.22 -30.5 66.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.519 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.58 -35.07 78.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.612 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -96.47 7.99 45.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.74 46.3 9.16 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.613 0.571 . . . . 0.0 111.223 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.534 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -69.64 120.02 14.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.214 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.478 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 23.9 m -68.75 160.63 76.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.946 175.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 6.4 Cg_endo -49.19 -50.0 13.97 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.303 2.669 . . . . 0.0 113.226 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.44 -46.46 88.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.246 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' B' ' 28' ' ' ALA . 56.1 tp -60.24 -45.14 94.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.345 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 96.9 m -57.23 -52.9 63.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.138 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 61' ' ' PHE . 5.9 tt -70.38 -31.17 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.656 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.2 ttp -66.23 -36.74 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 0.0 110.317 175.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.42 ' O ' HG13 ' B' ' 40' ' ' ILE . 33.5 mt -62.89 -43.38 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.551 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.03 83.31 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 110.127 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.11 -44.52 95.64 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.045 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -56.61 -45.61 81.37 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 110.491 177.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.448 ' O ' HG23 ' B' ' 44' ' ' VAL . 87.7 mt -54.9 -57.81 5.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.523 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.83 -43.49 85.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.299 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 76.6 m -58.52 -54.33 48.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.361 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -64.15 -34.07 77.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.607 0.241 . . . . 0.0 111.214 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 40' ' ' ILE . 75.5 t -68.93 -46.46 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.661 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.6 mt -64.8 -37.25 86.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.773 0.321 . . . . 0.0 111.575 -178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -84.06 -23.65 30.74 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -124.02 -50.1 1.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -84.42 -42.76 15.33 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -170.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.54 HG21 HG21 ' B' ' 57' ' ' ILE . 4.2 p -77.45 155.23 5.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.919 0.39 . . . . 0.0 111.51 -172.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.05 129.81 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.789 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.69 -47.88 50.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.258 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.5 m -72.3 -12.12 61.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.87 0.367 . . . . 0.0 111.751 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -106.95 -4.57 18.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.356 0.598 . . . . 0.0 109.673 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -62.36 -53.4 55.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.913 -169.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -67.09 -41.16 86.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.381 0.61 . . . . 0.0 110.361 -175.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 90.5 mt -69.82 -50.78 39.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.686 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.54 HG21 HG21 ' B' ' 49' ' ' VAL . 11.1 tt -67.09 -30.12 48.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.023 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.53 86.17 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.203 0.525 . . . . 0.0 110.172 176.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.39 -44.05 72.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.232 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 66.7 mttm -58.05 -42.11 84.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.833 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.44 -47.59 81.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.024 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.9 96.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.766 0.317 . . . . 0.0 110.434 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.52 -47.85 83.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.409 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.72 89.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.769 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . 0.404 ' HB3' ' HE3' ' B' ' 66' ' ' MET . 19.7 tp -64.33 -47.17 80.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.257 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.404 ' HE3' ' HB3' ' B' ' 65' ' ' LEU . 0.0 OUTLIER -65.64 -30.41 71.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 110.975 177.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -76.15 -17.94 59.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.8 m -99.38 5.89 46.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.458 0.647 . . . . 0.0 110.236 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 54' ' ' ARG . 35.3 tp . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.077 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.464 0.249 0 CA-C-O 121.458 0.647 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.7 m -76.72 119.6 20.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.937 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -39.33 60.37 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.831 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -54.86 -51.68 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.58 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.563 ' O ' HG13 ' A' ' 15' ' ' ILE . 9.4 tt0 -55.26 -54.16 47.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.436 HG22 HD11 ' B' ' 32' ' ' LEU . 85.7 t -55.89 -52.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.078 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.6 -47.09 85.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.936 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 2.6 mptp? -70.12 -31.9 69.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.629 -175.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 11' ' ' GLN . 67.7 mt -68.66 -37.7 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.066 0.46 . . . . 0.0 109.907 175.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.454 HD23 HG23 ' B' ' 36' ' ' ILE . 82.0 mt -60.7 -40.83 93.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.576 176.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -59.98 -38.89 83.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.826 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 5.8 mm-40 -59.85 -52.58 64.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.294 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 48.1 t -62.07 -39.91 85.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.792 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.66 -36.85 74.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 84.9 mt -70.17 -33.36 71.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.698 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.9 -40.32 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 74.4 mt -67.99 -32.31 72.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.464 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.96 -54.06 21.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.025 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -64.84 -23.08 67.12 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.54 ' CG ' HG12 ' B' ' 15' ' ' ILE . 89.6 m-70 -100.16 -5.32 27.94 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.356 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.5 46.94 23.87 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.468 0.48 . . . . 0.0 110.945 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.85 129.29 39.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.046 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -67.25 161.15 66.62 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.473 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.37 -55.96 2.92 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.969 2.446 . . . . 0.0 113.625 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HG2' HD11 ' B' ' 57' ' ' ILE . 33.0 mt-10 -61.27 -40.57 94.58 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.669 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 36' ' ' ILE . 63.7 tp -57.29 -48.88 77.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.009 0.433 . . . . 0.0 110.097 175.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -53.57 -50.88 64.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.362 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.409 HD21 ' CG ' ' B' ' 61' ' ' PHE . 8.3 tt -71.34 -34.89 70.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.852 -176.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.9 ttp -64.94 -34.73 79.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.519 HG23 HD23 ' B' ' 16' ' ' LEU . 63.6 mt -60.92 -45.14 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.212 174.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.31 87.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 110.475 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.32 -39.93 96.21 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.459 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -63.93 -38.31 90.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.2 mt -56.59 -56.55 13.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.364 173.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.75 -42.25 88.43 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.995 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -58.71 -46.72 86.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -60.24 -39.38 86.49 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.597 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 40' ' ' ILE . 58.3 t -62.8 -43.82 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.0 109.87 175.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 65.5 mt -66.49 -21.25 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.132 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -82.79 -54.35 5.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.691 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -122.15 -7.8 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -168.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.414 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 75.7 mtp180 -126.86 27.74 5.95 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.582 -169.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.446 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 4.8 p -153.63 167.29 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 177.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -89.73 156.66 18.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.827 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.57 -53.31 59.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.733 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -65.03 -27.91 69.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 5.2 tp60 -82.48 -15.49 52.28 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.405 -174.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 54' ' ' ARG . 15.4 mtm180 -58.11 -56.94 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HA ' HD21 ' B' ' 69' ' ' LEU . 18.1 tptm -65.74 -38.84 90.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.784 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.28 -49.18 67.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.625 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.6 tt -73.51 -31.21 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.725 0.297 . . . . 0.0 110.973 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.45 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 110.254 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.93 -39.22 76.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.814 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -59.78 -43.94 94.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.009 0.433 . . . . 0.0 109.914 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.497 ' HE2' ' CE2' ' B' ' 61' ' ' PHE . 66.1 t80 -57.11 -53.9 52.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.631 177.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.56 -43.0 93.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.32 -46.75 88.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.633 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.82 92.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.15 -38.61 85.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.506 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 32.3 mmt -67.35 -28.4 67.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.093 0.473 . . . . 0.0 110.1 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.8 t -70.71 -47.33 60.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.694 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.9 m -83.87 -3.96 58.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.452 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' B' ' 55' ' ' LYS . 16.2 tp . . . . . 0 C--O 1.235 0.292 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.247 174.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.446 -0.651 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -53.45 -36.79 61.97 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.383 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 16.4 mp0 -54.21 -51.7 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.201 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.619 ' O ' HG13 ' B' ' 15' ' ' ILE . 29.5 tt0 -63.37 -44.31 95.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.204 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.12 -51.09 58.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -52.0 -53.76 37.86 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 123.434 0.459 . . . . 0.0 111.575 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.589 ' HD2' ' N ' ' B' ' 14' ' ' LYS . 7.3 mptt -68.41 -32.58 72.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.004 -170.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.619 HG13 ' O ' ' B' ' 11' ' ' GLN . 55.5 mt -66.11 -53.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.519 HD23 HG23 ' A' ' 36' ' ' ILE . 91.8 mt -56.77 -41.61 77.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.027 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.26 85.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.109 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.413 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.9 mt-10 -76.67 -35.13 58.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.104 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.534 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 86.3 t -62.2 -45.33 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 110.327 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.81 -32.78 74.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.558 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.87 -42.04 90.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.753 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 18' ' ' GLU . 72.9 t -61.2 -43.55 96.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 71.9 mt -61.5 -38.1 86.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.268 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -68.86 -46.18 69.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.705 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -56.33 -45.45 80.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.656 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -91.28 7.91 38.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.663 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.14 47.8 22.41 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.141 0.496 . . . . 0.0 111.624 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.526 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -73.53 118.16 16.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.392 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -66.85 163.3 44.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.571 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.64 -52.9 7.82 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.933 2.422 . . . . 0.0 113.65 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -68.81 -34.34 75.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.615 0.245 . . . . 0.0 110.747 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' B' ' 28' ' ' ALA . 63.1 tp -64.04 -42.9 96.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.235 0.541 . . . . 0.0 109.742 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 53.3 m -57.67 -47.02 83.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.849 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.18 -33.93 70.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.704 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.1 ttm -62.1 -45.58 92.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.119 0.485 . . . . 0.0 109.937 175.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.601 ' O ' HG12 ' B' ' 40' ' ' ILE . 32.4 mt -58.03 -40.86 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.37 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.55 78.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.01 0.433 . . . . 0.0 110.407 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.02 -39.92 94.99 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.708 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -59.83 -41.6 91.72 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.601 HG12 ' O ' ' B' ' 36' ' ' ILE . 46.2 mm -59.38 -56.74 15.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.433 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.11 -39.25 74.72 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.116 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -61.24 -47.63 85.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.713 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -63.06 -36.51 83.82 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.918 0.39 . . . . 0.0 110.784 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 40' ' ' ILE . 67.4 t -61.01 -47.07 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.85 174.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.465 ' HA ' HG11 ' B' ' 49' ' ' VAL . 92.4 mt -65.67 -29.7 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.329 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -70.02 -51.04 35.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.511 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -122.0 -45.55 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -169.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 48' ' ' ARG . 52.6 mtt180 -93.49 43.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -167.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.545 HG13 ' HE ' ' B' ' 54' ' ' ARG . 9.8 p -159.18 150.0 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.932 0.396 . . . . 0.0 111.047 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.7 153.1 33.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.33 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.701 0.286 . . . . 0.0 111.691 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 m -65.76 -26.61 67.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.047 0.451 . . . . 0.0 111.286 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -88.23 -17.76 30.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.335 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.545 ' HE ' HG13 ' B' ' 49' ' ' VAL . 21.4 ttm180 -59.34 -59.88 4.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.387 -168.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.481 ' HG2' HD21 ' A' ' 69' ' ' LEU . 46.6 mtpt -70.41 -31.06 68.1 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.476 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.85 -44.55 63.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.672 0.272 . . . . 0.0 111.151 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.625 ' HA ' ' HD3' ' B' ' 60' ' ' LYS . 13.1 tt -68.76 -29.2 42.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.022 -177.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.69 -42.52 81.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.728 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.29 -37.12 69.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.521 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.625 ' HD3' ' HA ' ' B' ' 57' ' ' ILE . 51.2 mtpt -52.52 -49.51 64.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.354 0.597 . . . . 0.0 110.007 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.497 ' CE2' ' HE2' ' A' ' 61' ' ' PHE . 9.7 t80 -61.42 -52.44 64.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.681 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' B' ' 66' ' ' MET . . . -57.46 -40.77 79.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.563 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -62.75 -46.67 86.99 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.12 82.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.86 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.668 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' B' ' 62' ' ' ALA . 0.0 OUTLIER -72.56 -19.42 61.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.216 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.5 m -93.66 -30.95 14.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.177 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 36.7 p -89.63 13.22 14.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.369 0.604 . . . . 0.0 110.291 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' ' 55' ' ' LYS . 35.6 tp . . . . . 0 CA--C 1.536 0.415 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.47 -176.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.435 ' HB3' ' H ' ' A' ' 8' ' ' THR . 90.9 m-85 . . . . . 0 C--O 1.235 0.326 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.435 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 51.7 p -88.02 143.84 26.86 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.49 -29.73 70.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.62 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.41 -49.08 67.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.381 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 15' ' ' ILE . 52.4 tt0 -58.93 -57.16 14.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.928 -175.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.45 -45.82 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.105 -177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.6 -40.43 91.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.413 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 66.7 mmtt -75.48 -36.59 60.6 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 11' ' ' GLN . 50.9 mt -67.23 -46.15 84.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.395 175.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.4 HD23 HG23 ' B' ' 36' ' ' ILE . 74.5 mt -60.14 -36.03 76.62 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.5 176.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' LEU . . . -56.49 -54.15 49.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.784 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.6 mt-10 -67.87 -44.3 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.314 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 75.2 t -59.36 -51.04 77.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.672 0.272 . . . . 0.0 111.094 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.72 -32.21 72.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.815 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 2.5 tt -64.44 -42.16 96.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' GLU . 82.2 t -58.72 -44.51 90.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.984 0.421 . . . . 0.0 110.175 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.53 HD13 HG23 ' A' ' 33' ' ' THR . 58.9 mt -62.83 -43.27 99.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.392 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.96 -46.83 70.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.749 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -65.64 -34.46 78.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.641 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -91.3 7.27 41.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.804 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.89 46.76 19.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.83 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -70.99 124.07 23.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.54 ' HB2' ' OE1' ' A' ' 31' ' ' GLU . 5.5 m -67.68 162.03 61.01 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.202 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.54 -49.81 16.18 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.883 2.388 . . . . 0.0 113.506 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.54 ' OE1' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -71.38 -36.17 71.32 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.537 -177.429 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 28' ' ' ALA . 57.6 tp -59.2 -47.18 86.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.159 0.504 . . . . 0.0 109.954 171.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.53 HG23 HD13 ' A' ' 23' ' ' LEU . 54.4 m -56.35 -49.17 75.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.128 177.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.436 HD12 ' HB ' ' B' ' 44' ' ' VAL . 0.5 OUTLIER -69.53 -33.51 72.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.857 -175.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -64.0 -40.63 96.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 40' ' ' ILE . 43.6 mt -60.9 -41.89 90.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.659 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.22 91.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.975 0.417 . . . . 0.0 110.656 177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.98 93.41 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.112 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -64.09 -39.94 95.16 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 36' ' ' ILE . 80.6 mt -56.86 -53.64 39.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.238 175.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.02 -45.27 87.18 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.493 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.3 m -56.33 -49.13 75.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.245 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -59.83 -46.97 87.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.597 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 40' ' ' ILE . 62.9 t -61.68 -47.36 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.783 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.803 HD13 HD12 ' B' ' 69' ' ' LEU . 94.4 mt -63.25 -32.4 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 111.733 -177.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -78.13 -41.84 33.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -117.57 -34.29 4.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -110.74 18.88 19.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -165.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 3.9 p -139.82 164.88 22.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -77.92 143.94 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.367 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.45 -46.35 80.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.261 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 m -63.31 -29.48 70.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.604 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 8.1 tp60 -87.49 -16.6 34.27 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.349 -172.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 14.2 mtm-85 -53.89 -58.68 6.37 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -173.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.53 -39.81 94.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.92 0.39 . . . . 0.0 110.544 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.04 -48.16 63.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.762 -175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.9 tt -74.03 -30.37 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.12 71.52 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.192 0.52 . . . . 0.0 110.005 175.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -68.97 -37.67 78.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.863 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 9.2 mtpm? -56.96 -45.7 82.66 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.52 ' HB2' HD21 ' B' ' 34' ' ' LEU . 86.6 t80 -58.58 -53.99 52.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.722 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.9 -46.91 87.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.721 -176.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 6.8 tp60 -67.62 -39.25 84.69 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.618 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.92 76.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.325 0.583 . . . . 0.0 110.191 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.3 tp -70.08 -41.67 73.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.581 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.5 mmt -79.18 -11.6 59.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.327 -176.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 p -94.64 -25.25 16.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 p -91.01 -25.44 19.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.182 0.515 . . . . 0.0 110.381 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.434 HD11 ' CG ' ' B' ' 54' ' ' ARG . 58.1 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.667 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.42 -27.08 69.05 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.849 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 4.9 tm-20 -60.14 -47.61 85.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 174.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -61.17 -52.44 64.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.906 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 98.0 t -59.38 -41.74 85.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.64 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.64 -40.9 93.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.558 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 32.5 mmtp -65.14 -45.55 84.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.402 ' O ' HG23 ' B' ' 19' ' ' VAL . 57.5 mt -63.16 -41.91 94.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.364 . . . . 0.0 110.239 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 95.7 mt -60.77 -42.64 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.654 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.54 95.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 29.3 mm-40 -62.47 -50.73 70.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.446 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.595 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 97.1 t -59.89 -49.3 84.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.04 75.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.582 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.09 -43.38 87.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.104 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 18' ' ' GLU . 95.7 t -61.01 -38.88 80.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 110.521 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 75.6 mt -61.83 -49.92 74.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.369 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.59 -33.28 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.538 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.11 -37.78 78.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.756 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -99.28 7.12 45.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.81 41.44 28.05 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 122.779 0.432 . . . . 0.0 111.889 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 149.99 49.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.214 0.53 . . . . 0.0 111.778 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -89.81 165.22 25.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.253 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.21 -49.67 14.53 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.807 2.338 . . . . 0.0 113.531 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' B' ' 31' ' ' GLU . 0.0 OUTLIER -73.57 -32.22 64.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.438 -176.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.29 -45.76 93.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.168 0.509 . . . . 0.0 109.641 171.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.447 HG23 HD13 ' B' ' 23' ' ' LEU . 55.3 m -55.52 -49.13 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.038 176.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 61' ' ' PHE . 7.7 tt -69.03 -34.82 75.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.757 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -65.66 -38.02 88.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.096 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.4 HG23 HD23 ' A' ' 16' ' ' LEU . 46.3 mt -58.21 -45.23 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.615 175.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.35 -37.49 75.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.521 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.82 89.33 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.01 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -59.32 -37.76 78.6 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.542 0.211 . . . . 0.0 110.817 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.435 ' O ' HG23 ' B' ' 44' ' ' VAL . 72.2 mt -59.26 -56.02 19.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.237 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.65 86.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.046 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 49.4 m -57.66 -53.29 59.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.45 -45.96 90.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.576 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 58.7 t -63.44 -47.2 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.088 -178.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.03 -25.24 65.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -92.07 -46.36 7.82 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.823 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -113.46 -7.12 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -169.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.576 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 97.8 mtt180 -131.96 23.0 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.414 HG21 HG21 ' B' ' 57' ' ' ILE . 3.3 p -146.93 158.24 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.85 146.39 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.618 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.68 98.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.556 0.217 . . . . 0.0 111.452 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 16.2 m -65.41 -31.01 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.217 0.532 . . . . 0.0 110.37 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 13.5 tp60 -85.52 -18.53 33.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.343 -178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.434 ' CG ' HD11 ' A' ' 69' ' ' LEU . 32.8 ttm180 -53.38 -59.99 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.765 -169.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -79.36 -16.77 55.73 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.242 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -80.3 -45.79 17.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.131 0.491 . . . . 0.0 109.774 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.439 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.5 tt -73.53 -29.05 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.882 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.82 -34.02 68.97 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.107 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.04 -44.17 93.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -62.24 -48.58 79.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.229 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.24 -51.14 69.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.434 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.97 83.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.051 0.453 . . . . 0.0 110.949 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -66.17 -36.77 83.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.83 86.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.623 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.75 -46.6 88.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.435 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -26.35 64.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.396 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.0 m -78.18 -24.8 47.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.959 0.409 . . . . 0.0 110.345 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -97.62 1.12 48.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.44 0.638 . . . . 0.0 109.869 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.803 HD12 HD13 ' A' ' 45' ' ' LEU . 7.9 tt . . . . . 0 N--CA 1.449 -0.49 0 CA-C-N 115.513 -0.767 . . . . 0.0 108.992 175.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.4 m -52.94 114.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.695 0.622 . . . . 0.0 110.76 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -54.94 -44.53 74.39 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.262 -173.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.758 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 22.8 mt-10 -55.38 -49.5 72.15 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.077 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -55.2 -47.96 74.53 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.497 0.498 . . . . 0.0 110.987 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' B' ' 32' ' ' LEU . 38.9 t -61.42 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.017 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.79 -34.39 77.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.375 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.758 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 30.8 mmtp -65.65 -48.23 72.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.097 0.475 . . . . 0.0 110.068 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.88 -42.11 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.952 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -59.43 -36.14 75.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.789 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.12 81.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.676 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.93 -46.63 86.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.014 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.26 -41.66 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.745 0.307 . . . . 0.0 111.076 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.14 78.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.6 mt -69.94 -31.05 68.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.976 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -66.02 -42.09 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.255 0.55 . . . . 0.0 109.832 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.8 mt -69.07 -39.21 79.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.344 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.83 -44.91 88.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.392 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -68.19 -23.67 64.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.691 0.281 . . . . 0.0 111.495 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -93.84 -4.18 50.55 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.189 -0.204 . . . . 0.0 111.022 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.42 44.14 27.59 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.558 0.536 . . . . 0.0 110.666 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -62.85 131.08 47.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.578 -176.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -72.98 163.8 65.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.856 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -52.72 -46.08 36.02 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.52 2.147 . . . . 0.0 112.676 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -69.44 -39.41 77.82 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.462 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 28' ' ' ALA . 58.5 tp -62.61 -46.9 86.14 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.086 0.469 . . . . 0.0 109.79 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.1 m -53.45 -51.14 63.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.952 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' B' ' 61' ' ' PHE . 8.5 tt -70.73 -34.9 72.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.842 -176.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.9 ttp -64.76 -34.08 77.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.27 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' ' 40' ' ' ILE . 31.1 mt -64.6 -42.36 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.524 175.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.1 83.68 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.621 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.81 -41.0 99.93 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.179 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -62.03 -41.74 98.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.47 0.176 . . . . 0.0 110.547 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 36' ' ' ILE . 86.8 mt -56.45 -56.49 13.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.561 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.8 -53.73 54.46 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.36 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.4 m -55.16 -43.07 73.92 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.095 0.474 . . . . 0.0 111.489 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -63.95 -47.46 80.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.58 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 87.8 t -65.98 -35.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.744 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.73 HD13 HD13 ' B' ' 69' ' ' LEU . 96.0 mt -65.15 -25.92 67.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.845 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -89.8 -41.43 11.86 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.091 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.559 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 28.8 pt20 -136.59 137.58 40.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.86 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 94.9 mtt-85 91.95 14.65 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.182 1.393 . . . . 0.0 110.854 -178.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG11 ' HA ' ' A' ' 45' ' ' LEU . 1.3 p -141.39 158.93 22.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 120.762 0.315 . . . . 0.0 110.314 173.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -79.66 163.08 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.805 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.34 -41.44 56.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.482 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -63.12 -34.57 77.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.339 0.59 . . . . 0.0 110.121 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -88.33 -8.0 55.82 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.568 -176.693 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -60.11 -67.91 0.34 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.935 -170.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -74.66 -26.9 60.16 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.1 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -48.32 72.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.241 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.1 tt -69.9 -32.25 51.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.044 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.34 88.49 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.931 0.396 . . . . 0.0 110.764 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.16 -40.18 71.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.56 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -60.19 -40.87 91.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.099 0.476 . . . . 0.0 110.129 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -60.61 -51.22 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.08 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -57.08 -40.74 77.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -65.29 -47.46 76.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.271 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.04 -38.52 79.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.676 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.17 -42.54 96.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.483 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 25.4 mmt -71.61 -31.0 66.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.176 0.513 . . . . 0.0 110.301 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.3 m -71.71 -19.01 62.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.067 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -110.53 13.0 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.39 0.614 . . . . 0.0 110.499 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 tp . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.148 179.377 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 120.507 0.194 . . . . 0.0 110.519 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.1 -40.31 73.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.208 0.528 . . . . 0.0 110.809 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.626 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 2.0 mp0 -53.73 -48.45 69.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.228 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.563 ' O ' HG13 ' B' ' 15' ' ' ILE . 6.8 tt0 -70.63 -40.75 72.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.62 -176.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 80.8 t -58.84 -44.78 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.63 -42.31 74.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.191 0.52 . . . . 0.0 110.495 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 34.3 mmtp -69.9 -44.12 70.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.593 -178.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 11' ' ' GLN . 54.8 mt -62.96 -41.41 92.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.782 0.325 . . . . 0.0 110.289 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 93.5 mt -58.37 -40.41 82.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.547 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.93 89.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.655 177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.487 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.9 mt-10 -57.58 -49.88 74.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.725 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 87.9 t -62.3 -48.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.167 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -61.38 -34.46 75.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.86 0.362 . . . . 0.0 111.146 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 tt -66.02 -39.81 90.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.332 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 18' ' ' GLU . 66.1 t -63.0 -38.4 81.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.224 0.535 . . . . 0.0 110.275 177.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.636 HD13 HG23 ' B' ' 33' ' ' THR . 58.6 mt -64.17 -49.64 71.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.341 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -71.66 -21.77 61.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.198 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.9 -33.62 76.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.445 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -104.9 4.99 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.07 44.56 22.4 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.292 0.568 . . . . 0.0 110.792 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.65 122.7 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.31 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.428 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 33.4 m -71.4 159.77 84.53 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.056 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 1.7 Cg_endo -44.03 -48.37 9.42 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.657 2.905 . . . . 0.0 113.429 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 3.1 mp0 -57.39 -50.43 72.99 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.302 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.4 ' CD1' HG22 ' A' ' 12' ' ' VAL . 54.8 tp -63.49 -47.21 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.898 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.636 HG23 HD13 ' B' ' 23' ' ' LEU . 53.5 m -56.96 -50.25 73.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.515 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 tt -72.77 -31.21 64.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.294 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.9 ttm -61.33 -39.82 91.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.204 0.526 . . . . 0.0 109.961 175.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.84 -44.03 98.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.741 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.86 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.48 . . . . 0.0 110.168 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.72 -46.16 92.65 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.114 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -55.75 -39.95 71.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.52 0.2 . . . . 0.0 110.696 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.441 ' O ' HG23 ' B' ' 44' ' ' VAL . 75.2 mt -59.96 -59.75 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.477 175.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.502 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.64 -42.24 83.01 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.354 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 53.1 m -56.63 -52.97 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.043 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.23 -41.53 97.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.522 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.834 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 69.3 t -62.39 -49.33 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.72 177.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 91.2 mt -68.74 -16.54 63.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.889 -176.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -97.96 -51.2 4.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -122.68 6.24 9.45 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -168.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.834 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 28.5 mmt180 -123.94 10.51 8.87 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.206 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.617 HG21 HG21 ' B' ' 57' ' ' ILE . 9.8 p -144.62 152.67 15.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.837 0.351 . . . . 0.0 110.374 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.41 151.64 42.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.744 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.46 80.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.789 0.328 . . . . 0.0 111.235 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -66.79 -30.05 70.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.403 0.621 . . . . 0.0 110.472 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.579 ' HB3' HG22 ' B' ' 49' ' ' VAL . 5.1 tp60 -94.17 -4.96 48.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.448 -174.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.65 -65.05 0.75 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.9 -169.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.7 -29.38 67.81 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.943 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.62 -49.92 71.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.127 0.489 . . . . 0.0 109.829 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.617 HG21 HG21 ' B' ' 49' ' ' VAL . 9.9 tt -75.03 -28.58 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.36 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.71 80.51 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.15 0.5 . . . . 0.0 110.159 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.68 -36.91 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.99 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -56.74 -54.31 47.77 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.886 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.507 ' HB2' HD21 ' A' ' 34' ' ' LEU . 90.6 t80 -58.15 -53.32 59.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.467 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -62.1 -48.93 77.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.698 -175.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -65.9 -41.43 91.5 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.649 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.34 96.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 0.0 110.403 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 tp -62.7 -38.74 91.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.259 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.5 mmt -76.74 -34.5 58.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 65.1 p -73.82 -21.76 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 0.0 110.766 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 18.0 t -103.21 9.36 38.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.227 0.537 . . . . 0.0 109.853 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.73 HD13 HD13 ' A' ' 45' ' ' LEU . 68.9 tp . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.012 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.467 0.377 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.2 m -89.8 124.0 34.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.552 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -58.89 -40.44 84.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.315 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.92 -42.33 75.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.352 . . . . 0.0 111.131 176.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 15' ' ' ILE . 8.5 tt0 -69.32 -55.26 10.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.202 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.412 HG22 ' CD1' ' B' ' 32' ' ' LEU . 60.4 t -55.96 -51.25 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.332 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.85 -44.14 97.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -29.25 63.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.276 -176.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 11' ' ' GLN . 77.8 mt -65.3 -47.85 85.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 172.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.453 HD23 HG23 ' B' ' 36' ' ' ILE . 89.1 mt -57.94 -41.6 83.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.737 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.89 86.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.265 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.65 -38.56 83.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.171 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 15' ' ' ILE . 99.8 t -64.28 -45.39 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.96 0.409 . . . . 0.0 110.106 176.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.67 71.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.102 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.06 -40.85 82.69 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.11 -47.6 92.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.198 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.9 -37.92 77.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.687 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.22 -51.86 22.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.762 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -63.4 -40.7 97.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.516 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -86.76 1.37 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.021 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.02 45.14 21.59 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 123.658 0.599 . . . . 0.0 111.678 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.61 123.63 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -65.51 155.54 85.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.4 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.434 ' HB3' ' HD3' ' B' ' 48' ' ' ARG . 53.6 Cg_exo -52.74 -46.73 31.5 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.71 2.273 . . . . 0.0 112.466 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.94 -45.85 93.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.98 0.419 . . . . 0.0 110.375 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.559 ' HA ' ' HE3' ' A' ' 35' ' ' MET . 65.6 tp -61.18 -38.78 87.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.478 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -58.88 -53.05 62.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.187 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.52 -31.43 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.976 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.559 ' HE3' ' HA ' ' A' ' 32' ' ' LEU . 24.3 ttm -55.69 -49.64 72.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.427 0.632 . . . . 0.0 110.171 173.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.7 mt -61.47 -38.09 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.183 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.41 82.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.016 0.436 . . . . 0.0 110.71 175.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.17 -36.2 89.72 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.259 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.469 HD22 HD21 ' B' ' 16' ' ' LEU . 77.8 m-20 -63.56 -41.42 98.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.972 0.415 . . . . 0.0 110.0 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 36' ' ' ILE . 72.5 mt -60.62 -52.37 62.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.643 177.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.37 -51.16 67.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.391 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.3 m -57.56 -48.72 78.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.33 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -59.79 -41.06 90.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.152 0.501 . . . . 0.0 111.202 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 54.5 t -65.56 -42.6 93.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.284 176.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.856 HD13 HD13 ' B' ' 69' ' ' LEU . 96.1 mt -63.91 -17.15 62.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -84.7 -62.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.988 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -109.6 -41.42 4.57 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 14.1 mmt85 -82.7 10.82 6.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -168.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 57' ' ' ILE . 8.5 p -136.66 153.06 29.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.12 145.96 41.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.629 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -53.87 -42.19 68.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.996 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.2 t -76.62 -4.01 40.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.446 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' HB3' HG22 ' A' ' 49' ' ' VAL . 5.6 tp60 -111.47 -10.53 14.17 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.268 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 65.7 mtt-85 -50.55 -65.14 0.61 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -171.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 tmtp? -71.2 -26.07 62.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.044 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.71 -46.69 57.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.01 0.433 . . . . 0.0 109.935 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 49' ' ' VAL . 13.4 tt -72.07 -26.82 25.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.161 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.52 -32.55 70.06 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.258 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.08 -43.69 91.36 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -54.72 -50.69 67.72 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.033 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -57.66 -54.4 47.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.056 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.542 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -63.26 -45.3 92.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.611 -176.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.07 -44.88 94.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.422 . . . . 0.0 110.385 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.9 85.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.449 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 tp -69.25 -38.31 78.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.555 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 31.3 mmt -64.07 -39.09 93.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.0 110.272 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t -74.88 -28.51 60.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.583 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.2 m -88.03 2.46 51.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.296 0.57 . . . . 0.0 110.561 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 66' ' ' MET . 7.6 mt . . . . . 0 N--CA 1.451 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.151 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 79.3 m . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.02 -42.92 69.66 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.738 -176.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 1.6 tp10 -55.53 -54.29 45.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.593 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -51.93 -55.77 18.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.597 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.9 t -58.24 -49.11 82.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.155 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -58.55 -47.27 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 65.4 mmtt -69.2 -44.16 72.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.779 -174.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.402 ' O ' HG23 ' B' ' 19' ' ' VAL . 78.4 mt -64.43 -39.37 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.928 -177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.469 HD21 HD22 ' A' ' 39' ' ' ASN . 76.1 mt -61.11 -44.04 97.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.686 0.279 . . . . 0.0 110.574 176.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.67 96.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.483 ' O ' HG23 ' B' ' 22' ' ' VAL . 5.9 mm-40 -57.67 -53.25 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.095 177.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 15' ' ' ILE . 99.3 t -61.19 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.978 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.1 90.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.83 -41.42 97.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.414 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 18' ' ' GLU . 87.3 t -59.63 -40.89 83.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.949 0.404 . . . . 0.0 110.462 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.16 -38.31 87.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.21 -27.05 61.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -64.37 -24.99 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.138 0.494 . . . . 0.0 110.842 176.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -110.14 -3.52 16.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.481 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 51.69 50.98 17.59 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 123.7 0.625 . . . . 0.0 110.308 -174.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.99 138.24 56.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.483 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -73.94 158.0 86.42 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.304 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.485 ' O ' ' HB ' ' B' ' 33' ' ' THR . 51.5 Cg_exo -53.22 -50.82 12.65 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.143 2.562 . . . . 0.0 113.986 -175.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.92 -32.6 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.428 -178.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.467 ' O ' HG12 ' B' ' 36' ' ' ILE . 47.1 tp -63.2 -39.13 93.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.053 0.454 . . . . 0.0 109.996 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' B' ' 30' ' ' PRO . 72.3 m -56.66 -48.9 76.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.739 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -69.97 -30.55 67.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.289 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.1 ttm -61.76 -41.87 98.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.163 175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 32' ' ' LEU . 40.3 mm -58.62 -47.95 87.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.796 175.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.49 90.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.092 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.17 -44.05 96.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 121.173 -0.536 . . . . 0.0 112.608 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -60.9 -41.77 96.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.332 0.111 . . . . 0.0 110.839 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 36' ' ' ILE . 88.8 mt -54.19 -56.38 9.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.309 176.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.12 -48.52 78.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.779 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 56.5 m -57.15 -41.33 78.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.937 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.409 ' N ' HD22 ' B' ' 43' ' ' ASN . 0.9 OUTLIER -73.75 -41.02 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.035 -178.577 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.01 -40.2 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 110.385 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 90.0 mt -66.1 -38.04 87.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.468 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.433 ' HB3' ' HG3' ' B' ' 47' ' ' GLN . 2.1 m-80 -69.59 -57.81 4.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.468 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.433 ' HG3' ' HB3' ' B' ' 46' ' ' ASN . 53.9 mt-30 -124.83 76.29 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.259 -171.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 30' ' ' PRO . 13.6 mtt85 173.81 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.19 0.931 . . . . 0.0 110.856 173.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.518 HG21 HG21 ' B' ' 57' ' ' ILE . 7.1 p -80.66 156.6 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.899 0.38 . . . . 0.0 110.579 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 146.33 50.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.27 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.11 77.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.113 0.482 . . . . 0.0 110.801 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.0 m -67.7 -28.69 67.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.469 ' HB3' HG22 ' B' ' 49' ' ' VAL . 23.8 tt0 -96.52 -6.11 37.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.205 -175.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.457 ' HG2' HD22 ' A' ' 69' ' ' LEU . 21.5 ttm180 -60.39 -60.37 3.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.88 -169.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -75.35 -27.17 59.09 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.601 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.54 -45.79 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.239 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.518 HG21 HG21 ' B' ' 49' ' ' VAL . 11.1 tt -72.71 -27.4 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.69 70.32 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.343 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.25 -50.04 75.22 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.763 176.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -53.26 -48.7 68.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.543 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.82 -50.04 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.312 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -61.13 -47.17 87.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.305 -177.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.51 -38.98 91.28 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.2 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.99 0.424 . . . . 0.0 110.327 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.41 -43.0 99.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.216 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 26.3 mmt -70.71 -19.21 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -79.03 -38.8 35.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.18 176.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -84.19 -14.63 49.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.465 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.856 HD13 HD13 ' A' ' 45' ' ' LEU . 54.6 tp . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.893 175.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 . . . . . 0 C--O 1.236 0.385 0 CA-C-O 121.297 0.57 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 11' ' ' GLN . 1.4 t -92.65 141.53 28.37 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.782 173.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.7 -27.28 69.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.274 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.0 -53.66 54.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.433 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' H ' HG23 ' A' ' 8' ' ' THR . 51.2 tt0 -58.18 -49.47 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.528 -177.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 58.9 t -60.66 -51.04 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.016 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.06 -43.86 98.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 5.3 mptp? -66.37 -39.27 89.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.39 -176.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.9 mt -71.76 -39.54 68.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.594 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 86.3 mt -58.81 -43.73 90.62 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -58.46 -42.43 87.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.741 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.1 mm-40 -57.85 -53.19 60.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 59.0 t -60.29 -45.11 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.89 84.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.228 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 48.7 mt -68.48 -35.76 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.928 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 18' ' ' GLU . 87.6 t -63.14 -42.62 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.267 0.556 . . . . 0.0 109.833 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 67.3 mt -65.57 -42.98 91.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.371 177.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.84 -48.32 74.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.542 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -65.1 -23.2 67.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.837 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -102.56 5.16 39.16 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.239 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.37 43.88 28.16 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.505 0.503 . . . . 0.0 111.554 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.42 124.52 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.427 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 55.8 m -75.63 164.38 61.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.515 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.612 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 75.0 Cg_exo -50.71 -50.6 13.25 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.275 2.65 . . . . 0.0 113.553 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -58.27 -46.78 85.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.819 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.458 HD11 HG22 ' B' ' 12' ' ' VAL . 61.4 tp -61.17 -47.75 84.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.448 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 23' ' ' LEU . 62.8 m -54.84 -49.98 69.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.265 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' B' ' 61' ' ' PHE . 7.4 tt -70.55 -33.08 70.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.572 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.9 ttp -68.17 -33.04 73.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.158 0.504 . . . . 0.0 110.132 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 40' ' ' ILE . 39.0 mt -61.83 -41.77 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.418 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.19 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.441 ' CA ' ' HE1' ' B' ' 61' ' ' PHE . . . -63.35 -42.0 99.28 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.042 176.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -61.01 -41.51 96.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.587 0.232 . . . . 0.0 110.483 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 36' ' ' ILE . 82.7 mt -57.72 -58.98 3.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.56 -46.2 77.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.59 -178.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -58.95 -51.16 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.54 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -63.35 -32.06 73.38 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.709 0.29 . . . . 0.0 111.454 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.601 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 88.3 t -69.24 -46.55 77.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.611 HD13 ' HG ' ' B' ' 69' ' ' LEU . 96.0 mt -59.15 -32.03 69.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 177.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -67.95 -67.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.403 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -134.06 23.69 3.87 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -166.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.601 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 38.8 mtp85 -142.72 29.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.897 0.379 . . . . 0.0 111.272 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 45' ' ' LEU . 4.1 p -151.05 158.35 4.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.685 177.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -75.17 140.6 43.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.538 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.03 -42.82 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.315 0.384 . . . . 0.0 111.208 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 m -70.61 -23.5 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.726 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -87.52 -24.25 24.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.937 -177.598 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 93.6 mtt180 -46.12 -53.34 10.54 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -172.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -72.74 -40.63 65.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.365 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 56' ' ' LEU . 4.2 mt -63.39 -47.19 83.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.717 0.294 . . . . 0.0 111.391 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 16.1 tt -70.26 -28.26 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 -175.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -46.29 58.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.648 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.65 -44.64 93.22 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -55.31 -46.25 76.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.467 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.514 ' HB2' HD21 ' B' ' 34' ' ' LEU . 85.0 t80 -59.3 -53.3 59.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.886 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -61.01 -43.7 98.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.247 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.14 -48.08 83.22 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.02 85.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.781 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -67.47 -38.93 85.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.605 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.8 mmt -75.15 -32.03 61.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.707 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.2 p -79.28 -9.97 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.105 0.479 . . . . 0.0 110.441 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.6 m -110.99 7.91 21.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.196 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 tp . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.918 178.72 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 N--CA 1.447 -0.607 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -55.84 -42.51 75.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.914 -173.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.16 -37.56 80.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.655 0.264 . . . . 0.0 110.753 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.531 ' O ' HG13 ' B' ' 15' ' ' ILE . 28.5 tt0 -63.75 -50.08 70.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.922 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 32' ' ' LEU . 52.7 t -58.42 -45.6 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.265 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -54.86 -44.28 73.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.215 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.3 -39.19 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.505 -177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 11' ' ' GLN . 64.4 mt -62.51 -46.07 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.93 -40.05 87.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.43 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.87 -49.59 77.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.035 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.2 mt-10 -66.05 -47.15 75.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.233 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 74.8 t -59.68 -46.84 92.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.678 0.275 . . . . 0.0 110.854 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.82 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.822 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 tp -68.06 -40.58 82.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.199 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 18' ' ' GLU . 78.5 t -59.31 -41.05 82.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.039 0.447 . . . . 0.0 110.257 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.572 HD13 HG23 ' B' ' 33' ' ' THR . 64.0 mt -61.01 -47.99 83.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.116 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -65.15 -49.71 68.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.745 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.14 -36.92 68.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.77 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -92.88 2.17 56.91 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.26 49.32 15.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.19 0.519 . . . . 0.0 111.064 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.99 125.53 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.851 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.0 p -71.42 157.87 89.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.428 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.55 -41.4 60.82 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.956 2.437 . . . . 0.0 112.162 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 4.9 mp0 -56.91 -50.59 72.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.171 177.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.405 ' O ' HG13 ' B' ' 36' ' ' ILE . 59.2 tp -66.41 -47.55 72.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.457 -177.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.572 HG23 HD13 ' B' ' 23' ' ' LEU . 87.0 m -52.47 -51.86 57.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.674 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 61' ' ' PHE . 4.3 tt -72.41 -31.3 65.4 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.82 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.7 ttp -71.16 -34.05 70.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 32' ' ' LEU . 49.4 mt -60.8 -44.23 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.236 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.41 76.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.088 0.471 . . . . 0.0 110.54 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.71 93.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.369 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -66.01 -41.49 90.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.536 ' O ' HG23 ' B' ' 44' ' ' VAL . 1.5 mp -56.36 -51.1 68.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.15 174.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.587 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.09 -43.89 91.87 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.586 0.231 . . . . 0.0 110.752 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.2 m -60.74 -44.64 96.43 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.171 0.51 . . . . 0.0 110.848 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -66.13 -35.14 79.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.125 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.727 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 72.8 t -65.47 -45.63 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.99 174.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 90.0 mt -61.83 -21.47 64.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -96.78 -55.45 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.409 ' O ' ' HD2' ' B' ' 48' ' ' ARG . 74.5 mt-30 -110.11 10.47 23.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.723 0.297 . . . . 0.0 111.785 -166.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.727 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 7.6 mpt_? -129.23 -51.03 1.2 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.956 0.408 . . . . 0.0 111.662 -174.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.685 HG22 ' HB3' ' B' ' 53' ' ' GLN . 4.2 p -86.48 158.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.335 -172.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.05 155.14 27.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.404 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.86 88.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.776 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.4 m -74.7 -11.68 60.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.185 0.517 . . . . 0.0 111.08 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.685 ' HB3' HG22 ' B' ' 49' ' ' VAL . 6.0 tp-100 -99.81 -4.29 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.193 -177.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -55.0 -62.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.612 -170.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 10.3 tmtt? -78.86 -31.52 45.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.116 -172.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.16 -50.01 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.551 HG21 HG21 ' B' ' 49' ' ' VAL . 12.8 tt -67.44 -33.41 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 -177.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.76 -43.4 79.93 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.383 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.72 -48.45 80.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.07 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -56.73 -39.4 73.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.457 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.483 ' HB2' HD21 ' A' ' 34' ' ' LEU . 48.5 t80 -69.23 -53.37 20.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.877 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.38 -43.38 92.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.397 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -64.21 -40.34 95.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.654 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.9 87.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.423 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.03 -40.29 94.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.29 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' B' ' 66' ' ' MET . 28.4 mmt -63.12 -40.52 97.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.984 0.421 . . . . 0.0 110.432 176.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.4 t -71.03 -19.43 62.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.085 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 29.0 m -99.59 -2.92 34.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.023 0.44 . . . . 0.0 111.035 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.611 ' HG ' HD13 ' A' ' 45' ' ' LEU . 2.8 tt . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.444 ' HB3' ' OE1' ' A' ' 11' ' ' GLN . 82.5 m-85 . . . . . 0 C--O 1.233 0.202 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.443 ' OG1' ' HB2' ' A' ' 11' ' ' GLN . 49.7 p -77.18 143.05 39.33 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.747 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -60.35 -36.03 77.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.377 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.59 -42.15 98.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.047 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.444 ' OE1' ' HB3' ' A' ' 7' ' ' TYR . 52.9 tt0 -57.99 -52.56 65.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.337 0.589 . . . . 0.0 110.21 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.41 -42.98 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.365 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.05 -45.0 71.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.245 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.17 -42.63 75.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.068 -177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 19' ' ' VAL . 50.5 mt -67.37 -44.27 87.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.107 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.568 HD23 HG23 ' B' ' 36' ' ' ILE . 47.1 mt -57.86 -43.72 86.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 176.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.48 83.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.182 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -72.41 -36.22 68.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.575 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' ILE . 88.4 t -64.18 -46.22 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.029 0.442 . . . . 0.0 110.265 176.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.21 77.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.542 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.583 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 8.0 tt -61.44 -40.31 94.0 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.004 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.744 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 75.9 t -61.55 -48.43 88.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.108 0.48 . . . . 0.0 110.467 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD13 HG23 ' A' ' 33' ' ' THR . 62.6 mt -63.7 -33.83 76.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.533 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.83 -48.34 71.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.119 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.744 ' HE2' ' HA ' ' A' ' 22' ' ' VAL . 45.6 mtmt -56.69 -37.02 70.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.912 0.387 . . . . 0.0 111.52 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 89.0 m-70 -93.33 -3.24 53.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.404 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.09 46.96 22.98 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.533 0.521 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.12 130.66 44.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.721 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 24.9 m -79.13 159.88 72.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.074 176.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 1.3 Cg_endo -45.75 -47.38 13.86 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.627 2.885 . . . . 0.0 114.276 -176.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.9 -41.36 99.4 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.951 0.405 . . . . 0.0 110.324 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.559 ' O ' HG12 ' A' ' 36' ' ' ILE . 37.3 tp -69.32 -29.12 66.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.478 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.507 HG23 HD13 ' A' ' 23' ' ' LEU . 17.6 m -64.08 -47.44 80.09 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.025 0.44 . . . . 0.0 110.255 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' B' ' 61' ' ' PHE . 6.6 mp -76.77 -20.72 56.14 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.913 177.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.465 ' HB3' ' O ' ' A' ' 32' ' ' LEU . 41.5 tpp -57.85 -48.67 79.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.64 ' O ' HG12 ' A' ' 40' ' ' ILE . 38.1 mm -63.04 -53.66 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.514 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.48 -45.4 91.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.772 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.41 -47.69 74.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.521 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -62.91 -33.56 75.57 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.519 0.199 . . . . 0.0 110.951 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.64 HG12 ' O ' ' A' ' 36' ' ' ILE . 49.1 mm -58.99 -54.24 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.75 89.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.101 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -58.82 -47.28 85.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.815 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.5 -34.35 76.7 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.612 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.75 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 90.7 t -64.17 -46.66 92.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 174.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.482 ' O ' ' HD3' ' A' ' 54' ' ' ARG . 94.5 mt -65.27 -23.57 67.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.402 . . . . 0.0 111.064 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -78.96 -51.05 10.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.851 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -134.19 -10.33 2.58 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -170.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.75 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 48.3 mtt180 -111.22 19.53 18.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.918 -0.489 . . . . 0.0 112.148 -171.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 50' ' ' ALA . 5.1 p -148.54 175.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.867 -176.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.662 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.79 148.13 23.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.883 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.35 -60.01 3.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.414 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.2 m -69.23 -19.5 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 111.274 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.749 ' HG3' HG12 ' A' ' 57' ' ' ILE . 12.5 tp60 -88.07 -18.15 29.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -175.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 10.8 mtm-85 -51.09 -51.18 55.91 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -173.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -61.36 -45.41 94.51 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.193 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.555 ' HB3' HE21 ' A' ' 53' ' ' GLN . 9.3 tt -68.82 -36.06 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.08 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.749 HG12 ' HG3' ' A' ' 53' ' ' GLN . 12.6 mm -62.36 -46.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.827 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.78 88.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.653 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -61.47 -50.35 73.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.97 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.84 -35.84 81.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.398 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.468 ' HB2' HD21 ' B' ' 34' ' ' LEU . 62.4 t80 -66.91 -51.31 56.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.765 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.52 92.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.108 0.48 . . . . 0.0 110.844 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.63 -36.37 82.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.075 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.3 89.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.45 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.2 -48.33 82.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.123 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.9 mmt -72.68 -30.04 63.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.17 -176.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 m -80.02 -33.23 39.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.95 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.4 m -93.73 10.15 34.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.933 0.397 . . . . 0.0 110.479 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.9 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.597 -178.514 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -57.98 -38.59 76.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.723 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' B' ' 14' ' ' LYS . 41.6 mt-10 -54.85 -56.2 22.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.176 0.512 . . . . 0.0 110.671 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.492 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.6 tp-100 -58.35 -47.41 83.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.72 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.93 -47.61 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.442 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.14 -47.23 83.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.972 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 10' ' ' GLU . 4.9 mptp? -69.63 -33.75 73.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.513 -175.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 11' ' ' GLN . 69.7 mt -68.88 -46.86 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.291 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.553 HD23 HG23 ' A' ' 36' ' ' ILE . 75.7 mt -57.03 -40.94 77.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.525 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.27 87.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.297 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.466 ' O ' HG23 ' B' ' 22' ' ' VAL . 24.7 mt-10 -72.65 -39.45 67.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.531 -178.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.636 HG21 HG21 ' A' ' 36' ' ' ILE . 98.2 t -62.81 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.184 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.43 -33.37 75.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.44 -40.11 95.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.267 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.1 t -63.21 -42.89 98.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.157 0.503 . . . . 0.0 110.204 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.484 HD13 HG23 ' B' ' 33' ' ' THR . 68.4 mt -62.92 -45.36 92.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.196 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.73 -40.68 97.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.637 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -65.05 -21.0 66.76 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.571 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -109.15 -0.11 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.424 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.82 49.52 20.08 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.809 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.62 126.51 29.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.77 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 72.9 p -75.68 161.07 77.58 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.081 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -44.83 -48.52 10.58 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.446 2.764 . . . . 0.0 113.76 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.555 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 1.9 mp0 -56.94 -50.53 72.31 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.231 0.538 . . . . 0.0 110.078 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.24 -44.39 88.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.112 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.484 HG23 HD13 ' B' ' 23' ' ' LEU . 99.1 m -53.02 -53.88 43.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.487 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 61' ' ' PHE . 8.1 tt -71.01 -36.41 72.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.936 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 29.2 ttp -64.58 -41.8 96.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.682 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 16' ' ' LEU . 52.2 mt -57.83 -44.84 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 177.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.5 -31.83 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.623 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.92 -43.86 92.93 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.017 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -60.51 -40.32 90.98 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.552 HG12 ' O ' ' B' ' 36' ' ' ILE . 42.5 mm -57.95 -59.29 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.673 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.07 -48.89 79.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.254 -177.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 50.5 m -59.71 -46.81 87.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.379 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 4.0 t-20 -60.41 -41.38 93.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.053 0.454 . . . . 0.0 110.638 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.613 HG13 ' HB2' ' B' ' 48' ' ' ARG . 45.3 t -65.89 -40.96 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.606 176.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 93.5 mt -60.32 -22.16 62.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.481 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -85.24 -52.37 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.487 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 3.4 pp0? -125.15 -8.04 7.09 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -166.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.613 ' HB2' HG13 ' B' ' 44' ' ' VAL . 4.4 mmp_? -110.53 -43.47 3.86 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.447 -176.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.59 HG21 HG21 ' B' ' 57' ' ' ILE . 9.6 p -71.27 157.78 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.607 0.241 . . . . 0.0 110.461 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.53 139.51 58.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 111.012 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.537 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . . . -61.21 -30.6 70.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.79 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.4 t -90.3 5.37 47.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.719 0.295 . . . . 0.0 110.957 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -124.57 6.08 8.25 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.041 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.537 ' NE ' ' HA ' ' B' ' 51' ' ' ALA . 21.3 mmt180 -55.32 -69.21 0.14 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.19 0.519 . . . . 0.0 111.978 -172.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -69.53 -32.96 72.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.748 -172.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.19 -46.29 84.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.263 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.59 HG21 HG21 ' B' ' 49' ' ' VAL . 11.7 tt -71.98 -29.68 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.535 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -34.46 77.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 110.055 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.51 -45.35 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.555 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.429 ' HA ' ' HB3' ' B' ' 63' ' ' GLN . 22.3 mtpp -68.26 -31.86 71.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.355 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.466 ' CD1' HD23 ' A' ' 34' ' ' LEU . 88.5 t80 -64.86 -49.37 70.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.995 0.426 . . . . 0.0 110.138 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -63.96 -38.99 93.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.94 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . 0.429 ' HB3' ' HA ' ' B' ' 60' ' ' LYS . 29.5 tt0 -53.09 -48.3 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.461 173.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.36 -45.12 76.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 0.0 110.799 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.91 -47.3 81.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.525 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 21.4 mmt -69.05 -30.81 69.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.124 0.488 . . . . 0.0 110.804 -178.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 63.3 m -78.99 -18.46 53.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.049 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.9 p -107.33 6.46 28.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.44 . . . . 0.0 110.491 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 tp . . . . . 0 C--O 1.234 0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.965 178.064 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 92.7 m-85 . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 111.824 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -85.82 123.96 31.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.969 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.4 -46.49 66.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.237 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.8 mm-40 -59.02 -55.23 37.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.642 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.536 ' O ' HG13 ' A' ' 15' ' ' ILE . 49.6 mt-30 -55.36 -51.21 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.06 0.225 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 8' ' ' THR . 58.1 t -57.47 -52.09 61.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.058 0.456 . . . . 0.0 111.463 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -67.66 -39.15 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.773 -174.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.51 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 17.3 mmtp -77.21 -23.69 51.4 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.936 -176.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 11' ' ' GLN . 66.2 mt -64.58 -46.81 91.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 169.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.449 HD23 HG23 ' B' ' 36' ' ' ILE . 91.3 mt -58.63 -38.09 77.31 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.552 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.75 -49.32 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.27 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.3 mt-10 -64.57 -42.68 95.5 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.997 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.471 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 94.3 t -59.8 -47.72 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 0.0 110.731 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.22 75.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.22 -41.98 96.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.061 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 18' ' ' GLU . 58.3 t -64.05 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.192 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 75.9 mt -63.96 -46.07 86.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.501 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.85 -48.45 81.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.698 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -56.89 -41.31 77.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.557 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -91.74 2.57 56.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.297 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.47 47.09 23.58 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.631 0.582 . . . . 0.0 111.089 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 125.88 26.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.82 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 m -64.36 159.98 54.31 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.511 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.529 ' O ' ' HB ' ' A' ' 33' ' ' THR . 67.0 Cg_exo -51.91 -56.72 2.67 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.965 2.444 . . . . 0.0 114.001 -176.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.88 -34.46 77.85 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.66 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' O ' ' HG3' ' A' ' 35' ' ' MET . 48.5 tp -60.21 -40.0 88.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.148 0.499 . . . . 0.0 109.957 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 49.0 m -58.52 -47.04 85.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.808 174.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' B' ' 61' ' ' PHE . 7.1 tt -74.55 -36.98 63.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.47 -174.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.566 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 5.2 ppp? -66.22 -32.38 73.78 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 40' ' ' ILE . 27.4 mt -65.38 -41.82 92.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.428 175.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.9 81.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.972 0.415 . . . . 0.0 110.117 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.77 -44.02 96.87 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.94 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -58.34 -40.88 83.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.794 0.331 . . . . 0.0 110.521 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 44' ' ' VAL . 77.5 mt -59.33 -54.1 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.479 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.07 -39.61 82.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.914 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.9 m -57.68 -48.28 79.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -62.62 -43.95 97.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.809 0.338 . . . . 0.0 110.102 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.537 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 59.7 t -59.25 -48.94 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.718 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 96.7 mt -67.21 -19.6 65.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.91 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -99.27 -42.05 7.19 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -117.75 -13.23 10.17 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -172.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.537 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 9.2 mmm180 -119.37 13.15 12.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -171.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.564 HG21 HG21 ' A' ' 57' ' ' ILE . 5.4 p -138.74 161.89 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.558 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -74.72 139.71 43.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -44.4 69.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.755 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 m -64.65 -25.19 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.302 0.572 . . . . 0.0 111.206 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -102.86 1.33 33.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.537 -173.449 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.596 ' HG2' HD11 ' B' ' 69' ' ' LEU . 43.8 ttm-85 -60.61 -66.85 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.087 -168.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -77.18 -22.76 51.96 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.471 -176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.78 -53.91 47.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 49' ' ' VAL . 11.7 tt -68.39 -28.84 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.464 -176.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.08 -44.27 72.85 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.628 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.49 -42.41 87.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.645 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -57.81 -39.39 77.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.701 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.543 ' HE2' ' HE1' ' B' ' 61' ' ' PHE . 40.1 t80 -66.39 -47.64 72.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.145 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.82 -40.35 79.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.242 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.71 -44.15 96.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.062 0.458 . . . . 0.0 110.576 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.26 89.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.88 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -67.34 -30.64 70.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.121 0.486 . . . . 0.0 110.598 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -30.37 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.793 177.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 p -82.82 -18.85 39.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.787 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.7 p -93.03 -4.81 51.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.292 0.568 . . . . 0.0 110.461 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.223 177.254 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 13.7 p . . . . . 0 N--CA 1.469 0.524 0 CA-C-O 121.465 0.65 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.5 -34.97 78.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.34 0.591 . . . . 0.0 109.614 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -62.22 -51.52 67.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.721 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.567 ' O ' HG13 ' B' ' 15' ' ' ILE . 9.6 tt0 -58.28 -48.89 79.03 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.692 0.282 . . . . 0.0 110.558 -178.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.424 HG22 HD11 ' A' ' 32' ' ' LEU . 86.5 t -59.44 -48.35 87.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.56 -47.65 69.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.944 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.65 -41.85 92.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.365 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 11' ' ' GLN . 70.4 mt -62.12 -48.55 87.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.717 0.294 . . . . 0.0 110.423 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.454 HD23 HG23 ' A' ' 36' ' ' ILE . 90.7 mt -56.69 -43.94 81.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -58.93 -44.34 91.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.288 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.56 -42.03 78.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.806 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.427 HG13 HG22 ' A' ' 19' ' ' VAL . 89.7 t -63.48 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.951 0.405 . . . . 0.0 110.777 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.17 94.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 81.9 mt -66.65 -28.86 68.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.6 -50.6 79.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.208 0.527 . . . . 0.0 109.939 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.635 HD13 HG23 ' B' ' 33' ' ' THR . 50.7 mt -63.27 -44.78 94.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.185 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -59.94 -45.34 92.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.937 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -61.37 -36.71 80.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.617 -176.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -88.26 1.14 55.16 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.203 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.41 45.63 16.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.297 0.57 . . . . 0.0 110.507 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.89 130.37 42.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.434 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -68.38 157.91 86.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.401 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.56 -50.4 13.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.73 2.287 . . . . 0.0 112.612 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.429 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 1.7 mp0 -58.52 -46.43 86.76 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.881 0.372 . . . . 0.0 110.205 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.57 ' O ' HG12 ' B' ' 36' ' ' ILE . 44.9 tp -58.7 -44.33 90.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.685 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.635 HG23 HD13 ' B' ' 23' ' ' LEU . 46.5 m -57.07 -51.63 68.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.665 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.425 ' HB2' HG11 ' A' ' 44' ' ' VAL . 6.6 tt -69.5 -28.79 66.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 -177.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 33.7 ttp -72.01 -31.11 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.223 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.57 HG12 ' O ' ' B' ' 32' ' ' LEU . 30.1 mm -59.05 -45.66 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 172.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.52 -41.25 85.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.561 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.21 -40.03 97.63 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.283 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.16 -42.61 98.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.49 ' O ' HG23 ' B' ' 44' ' ' VAL . 70.0 mt -59.59 -54.47 34.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.423 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -56.71 -44.37 81.49 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.34 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.1 m -62.78 -42.2 99.59 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.707 0.289 . . . . 0.0 110.811 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -58.91 -41.88 88.32 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 110.221 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.505 HG13 ' HB2' ' B' ' 48' ' ' ARG . 59.4 t -64.09 -44.75 97.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.152 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 97.9 mt -66.17 -17.33 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.428 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.98 -56.54 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.469 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -114.72 -32.35 5.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -170.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.505 ' HB2' HG13 ' B' ' 44' ' ' VAL . 45.4 mtt-85 -102.74 23.51 11.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -164.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.563 HG21 HG21 ' B' ' 57' ' ' ILE . 6.0 p -147.06 150.7 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.417 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.12 145.76 47.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.208 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.27 89.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.858 0.361 . . . . 0.0 110.986 175.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 21.8 m -72.54 -14.31 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -101.84 -8.42 21.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.276 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.459 ' HE ' HG13 ' B' ' 49' ' ' VAL . 16.9 ttm180 -64.01 -52.94 57.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.409 -166.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -76.76 -29.33 56.07 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.143 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 67.4 mt -64.35 -49.58 71.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.045 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.563 HG21 HG21 ' B' ' 49' ' ' VAL . 10.2 tt -69.17 -28.23 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.264 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.42 74.94 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.222 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.66 -47.25 73.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.806 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 57.7 mtpt -51.86 -48.21 64.11 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.289 174.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.543 ' HE1' ' HE2' ' A' ' 61' ' ' PHE . 60.9 t80 -54.03 -58.22 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.779 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.08 -46.97 82.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.944 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.86 -45.02 75.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.471 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.89 85.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.227 0.537 . . . . 0.0 110.416 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.8 -48.87 79.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.851 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.477 ' HA ' ' HB2' ' B' ' 69' ' ' LEU . 65.1 mtt -83.76 -11.6 56.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.62 -175.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -81.1 -26.68 36.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 172.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.2 m -98.47 9.18 43.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.166 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 54' ' ' ARG . 33.8 tp . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.462 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 . . . . . 0 C--O 1.234 0.263 0 CA-C-O 122.016 0.912 . . . . 0.0 113.037 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.551 ' HB ' ' CB ' ' A' ' 11' ' ' GLN . 24.7 m -77.38 116.99 18.43 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.748 -1.114 . . . . 0.0 108.988 173.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -68.27 -33.39 74.26 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.236 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.6 mp0 -65.01 -42.92 93.99 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 174.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.551 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 6.0 tp60 -57.02 -50.2 73.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.373 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.83 -43.11 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.596 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.79 -43.57 97.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 64.4 mmtt -67.43 -36.58 81.52 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 11' ' ' GLN . 89.1 mt -62.86 -52.98 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.044 175.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.95 -40.61 80.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.84 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.48 -50.04 75.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.392 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 22' ' ' VAL . 45.3 mt-10 -62.59 -44.1 97.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.701 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.424 HG13 HG22 ' B' ' 19' ' ' VAL . 71.5 t -60.49 -46.59 95.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.87 0.367 . . . . 0.0 110.779 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.61 80.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.678 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.23 -35.67 80.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.577 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 18' ' ' GLU . 89.9 t -61.62 -41.11 89.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.302 0.573 . . . . 0.0 109.575 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.604 HD13 HG23 ' A' ' 33' ' ' THR . 71.2 mt -66.35 -43.88 84.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.263 178.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.87 -47.51 83.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.974 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -52.15 -41.8 62.85 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.092 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.49 8.73 44.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -175.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.61 42.53 26.96 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.128 0.49 . . . . 0.0 111.331 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -68.95 115.51 8.34 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.679 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 m -63.4 157.89 61.42 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.465 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.522 ' HG3' ' HD3' ' B' ' 48' ' ' ARG . 73.3 Cg_exo -49.23 -43.52 36.93 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.09 2.526 . . . . 0.0 112.299 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.05 -53.04 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.403 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' HG12 ' A' ' 36' ' ' ILE . 50.2 tp -63.41 -33.25 75.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.769 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.604 HG23 HD13 ' A' ' 23' ' ' LEU . 62.7 m -61.86 -47.32 85.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -29.16 65.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.183 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.7 ttm -60.26 -42.24 94.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.885 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 32' ' ' LEU . 40.2 mm -58.74 -49.48 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.919 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.16 84.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.123 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.9 -43.05 95.01 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.548 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -62.05 -43.2 99.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.579 0.228 . . . . 0.0 110.745 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . 86.3 mt -58.35 -56.22 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.58 -45.17 81.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.216 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -60.9 -44.97 96.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.261 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.89 -35.42 79.97 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.626 0.251 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 40' ' ' ILE . 90.1 t -65.15 -45.39 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 174.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.521 HD13 HD13 ' B' ' 69' ' ' LEU . 86.9 mt -62.87 -25.94 68.53 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.435 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.87 -55.81 3.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.957 0.408 . . . . 0.0 111.561 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -93.63 -59.44 2.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -169.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -87.61 -28.41 21.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -162.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG21 HG21 ' A' ' 57' ' ' ILE . 3.8 p -79.27 159.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.046 0.45 . . . . 0.0 111.509 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.66 135.92 50.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.741 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.559 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -51.69 -43.77 62.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.0 t -87.67 3.27 48.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.569 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 8.5 tp-100 -108.16 -12.04 15.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.468 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.559 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 51.1 mtt-85 -50.45 -54.54 21.25 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.911 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HE3' ' SD ' ' B' ' 66' ' ' MET . 22.1 tptm -71.94 -44.3 63.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.593 0.235 . . . . 0.0 110.866 -176.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.419 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 33.9 mt -59.85 -47.18 86.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.629 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 14.6 tt -71.57 -30.19 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.696 -175.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.14 77.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.011 0.434 . . . . 0.0 110.1 174.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -44.23 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.466 174.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 56' ' ' LEU . 2.5 mtmm -68.36 -35.95 78.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.133 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -58.7 -50.07 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.364 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.55 -42.28 96.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.93 -51.58 66.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.444 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.47 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 26.1 tp -63.58 -48.41 77.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.238 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.496 ' HA ' HD12 ' A' ' 69' ' ' LEU . 24.2 mmt -65.3 -40.66 94.1 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.064 0.459 . . . . 0.0 110.416 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.1 m -69.08 -17.25 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.811 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.0 m -102.18 2.3 37.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.079 0.466 . . . . 0.0 110.55 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 23.5 mt . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.775 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.838 0.351 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -49.63 -49.06 48.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.54 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 6.2 tt0 -60.33 -47.03 87.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -57.42 -48.36 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.962 0.41 . . . . 0.0 110.669 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.06 -41.27 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.538 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.43 -43.77 88.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 33.3 mmtp -56.75 -47.52 79.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.242 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.415 ' O ' HG23 ' B' ' 19' ' ' VAL . 65.7 mt -66.73 -51.0 60.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.92 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.4 mt -58.27 -39.82 80.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.076 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.39 82.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.01 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.489 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.0 mt-10 -66.0 -41.59 90.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.089 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.424 HG22 HG13 ' A' ' 19' ' ' VAL . 72.5 t -60.72 -47.77 91.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.734 0.302 . . . . 0.0 110.869 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.63 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.76 -39.85 95.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.281 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 18' ' ' GLU . 86.4 t -63.28 -44.54 99.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.957 0.408 . . . . 0.0 110.068 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.495 HD13 HG23 ' B' ' 33' ' ' THR . 68.0 mt -62.79 -46.0 90.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.732 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.82 -40.14 91.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -66.33 -20.8 66.19 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.249 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -107.89 7.88 28.3 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.004 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.61 42.24 17.56 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.53 0.519 . . . . 0.0 111.437 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.533 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -68.31 120.75 14.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.525 -178.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 50.7 m -77.6 165.87 48.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.035 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 88.7 Cg_exo -48.0 -48.0 17.56 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.329 2.686 . . . . 0.0 114.056 -177.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.469 ' OE1' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -67.32 -43.67 81.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.465 -177.286 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' B' ' 28' ' ' ALA . 64.6 tp -61.23 -39.5 90.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.793 0.33 . . . . 0.0 110.471 175.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.495 HG23 HD13 ' B' ' 23' ' ' LEU . 95.1 m -56.54 -51.55 68.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.932 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.81 -31.36 66.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.2 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 31.6 ttp -66.26 -36.19 82.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.4 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 32' ' ' LEU . 20.4 mm -59.06 -48.01 88.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 173.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.84 76.48 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.114 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.08 78.18 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.352 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.56 -38.48 84.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.645 0.259 . . . . 0.0 110.755 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 36' ' ' ILE . 84.4 mt -57.8 -57.32 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.401 177.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.94 -44.99 87.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.148 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -55.49 -56.16 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 111.291 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.8 -34.55 78.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.899 -175.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.444 HG21 ' CG2' ' A' ' 33' ' ' THR . 93.4 t -71.26 -41.05 74.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.936 0.398 . . . . 0.0 110.874 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 96.2 mt -68.65 -26.39 65.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.766 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.65 -46.1 14.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.474 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -123.69 27.92 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -166.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.522 ' HD3' ' HG3' ' A' ' 30' ' ' PRO . 57.4 mtt180 -145.34 -48.33 0.23 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 176.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.626 HG21 HG21 ' B' ' 57' ' ' ILE . 7.2 p -77.96 154.15 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.314 -173.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.96 11.27 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.464 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.1 78.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.396 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 26.6 t -78.9 -18.29 54.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.609 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.434 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 8.5 tp-100 -88.2 -18.12 29.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.175 0.512 . . . . 0.0 109.952 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -53.82 -63.97 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.032 -0.986 . . . . 0.0 112.56 -168.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.484 ' HE3' ' HB3' ' B' ' 55' ' ' LYS . 11.2 mtpp -71.03 -33.71 70.58 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.729 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 56' ' ' LEU . 54.3 mt -63.77 -52.43 60.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.631 0.253 . . . . 0.0 110.99 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.626 HG21 HG21 ' B' ' 49' ' ' VAL . 13.0 tt -66.92 -29.09 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.196 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.24 82.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.03 -30.35 44.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.023 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -58.27 -46.78 85.39 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 0.0 110.094 169.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -57.54 -44.55 85.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.936 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -61.35 -43.51 98.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -41.55 98.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.029 0.442 . . . . 0.0 109.966 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.09 90.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.448 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.31 -33.34 73.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.682 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 21.2 mmt -69.64 -29.18 66.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.212 0.53 . . . . 0.0 109.909 176.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -84.66 -32.67 23.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.419 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 53.1 p -76.1 -24.74 55.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.135 0.493 . . . . 0.0 110.196 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.521 HD13 HD13 ' A' ' 45' ' ' LEU . 57.5 tp . . . . . 0 N--CA 1.453 -0.303 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.53 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.943 0.402 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -71.65 98.43 1.91 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -58.69 -23.42 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.056 -172.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.476 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 6.8 tp10 -61.86 -55.08 33.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.221 0.534 . . . . 0.0 109.773 174.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.1 tp-100 -59.49 -46.55 88.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.556 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.2 t -59.88 -46.1 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.166 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.98 -46.61 84.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.849 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 12.9 mptt -63.31 -40.35 97.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.007 -177.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 74.6 mt -64.11 -51.95 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.596 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.15 -41.64 93.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.11 93.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.343 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 22' ' ' VAL . 40.0 mt-10 -69.95 -39.35 76.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.593 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.6 t -61.85 -46.84 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.796 0.332 . . . . 0.0 110.366 177.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.56 84.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.94 -42.96 99.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.164 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 18' ' ' GLU . 77.6 t -61.36 -40.97 88.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.325 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 79.0 mt -58.72 -50.22 74.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.246 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -66.29 -42.59 88.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -62.05 -33.14 73.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.55 -176.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -103.28 11.13 37.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.366 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.63 37.36 27.42 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.438 0.461 . . . . 0.0 111.819 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.14 119.3 12.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.414 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -62.28 149.69 86.63 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.265 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.72 -42.29 51.06 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.119 2.546 . . . . 0.0 112.749 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.79 -46.58 88.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.197 0.522 . . . . 0.0 110.303 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD11 HG22 ' B' ' 12' ' ' VAL . 66.9 tp -60.14 -39.0 84.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.281 177.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.3 m -56.34 -49.8 73.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.369 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tt -73.41 -33.11 64.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.523 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -66.32 -33.9 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.089 0.471 . . . . 0.0 109.919 177.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.5 mt -63.72 -42.76 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 174.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.55 71.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.0 -45.63 95.23 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.156 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -59.82 -41.71 91.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.699 0.285 . . . . 0.0 110.462 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 44' ' ' VAL . 78.7 mt -58.08 -58.72 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.393 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.45 -46.67 80.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.323 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 59.9 m -58.62 -47.35 84.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.535 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -70.22 -37.74 75.09 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.735 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 87.7 t -61.21 -48.19 90.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.549 HD13 HD13 ' B' ' 69' ' ' LEU . 97.8 mt -64.08 -22.57 66.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 111.162 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 42' ' ' THR . 8.9 t-20 -89.43 -56.88 3.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.78 -173.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -123.04 1.83 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -170.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.791 ' HE ' ' HA ' ' A' ' 48' ' ' ARG . 1.2 mmp_? -129.9 22.43 5.37 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.91 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.601 HG22 ' H ' ' A' ' 50' ' ' ALA . 2.9 p -144.28 175.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.87 141.58 29.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.29 -48.65 76.19 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.8 m -71.21 -13.53 61.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.237 0.542 . . . . 0.0 111.155 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 9.2 tp60 -106.08 -5.48 19.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.804 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.513 ' HG2' HD11 ' B' ' 69' ' ' LEU . 42.6 ttm180 -68.06 -60.82 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.173 -167.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 59.1 tttm -67.99 -31.57 71.37 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.179 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tt -66.28 -42.76 87.98 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.718 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -71.02 -28.61 33.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.599 177.785 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.35 -44.57 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 173.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 68.7 mm-40 -56.83 -42.97 80.56 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.87 174.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.718 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 50.7 mtpt -53.36 -56.15 19.07 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.654 177.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.519 ' HB2' HD21 ' B' ' 34' ' ' LEU . 89.4 t80 -56.95 -51.55 68.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.062 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.38 75.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.861 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 14.5 mm-40 -68.68 -36.56 78.66 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.084 -177.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.86 87.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.103 0.478 . . . . 0.0 110.07 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.44 -46.14 84.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.567 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.4 tpp -69.7 -33.37 72.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.287 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 p -77.79 -20.01 54.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 0.0 110.705 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.2 m -91.62 -8.1 48.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.229 0.538 . . . . 0.0 110.205 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.536 HD13 HD13 ' B' ' 45' ' ' LEU . 42.3 tp . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.486 HG23 ' HB3' ' B' ' 11' ' ' GLN . 2.3 t . . . . . 0 N--CA 1.449 -0.499 0 CA-C-O 121.302 0.572 . . . . 0.0 109.774 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.02 -16.19 58.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.127 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 25.5 mt-10 -62.96 -50.04 72.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.814 175.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.486 ' HB3' HG23 ' B' ' 8' ' ' THR . 35.5 tt0 -69.81 -41.99 74.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.414 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 32' ' ' LEU . 64.8 t -54.73 -46.46 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.261 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.33 -44.76 84.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.834 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 44.6 mmtm -62.81 -46.61 87.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.613 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.29 -37.86 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.493 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 82.2 mt -61.35 -40.91 96.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.469 174.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.02 82.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.867 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 5.6 mm-40 -60.16 -54.26 47.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 109.922 175.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 59.6 t -63.77 -42.89 97.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.99 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.1 77.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.38 -43.33 86.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.017 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 18' ' ' GLU . 93.1 t -60.39 -47.25 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.445 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 56.4 mt -64.39 -40.57 96.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.65 -42.13 82.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 0.0 110.495 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.32 -37.35 87.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -87.01 2.06 50.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.009 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.28 46.18 21.64 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.574 0.546 . . . . 0.0 111.764 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.509 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -66.52 131.07 45.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.202 0.525 . . . . 0.0 111.563 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 13.9 m -85.1 158.09 58.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.591 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 2.6 Cg_endo -46.42 -51.17 9.19 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.557 2.838 . . . . 0.0 113.549 -177.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -56.46 -47.27 79.52 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.037 0.446 . . . . 0.0 110.316 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' B' ' 28' ' ' ALA . 54.9 tp -63.23 -46.58 86.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.752 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.408 ' O ' ' HB ' ' B' ' 36' ' ' ILE . 57.3 m -56.32 -49.72 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 0.0 111.413 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 61' ' ' PHE . 7.5 tt -68.74 -33.1 73.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.213 -177.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 53.8 ttp -67.51 -31.43 71.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.276 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.486 HG12 ' O ' ' B' ' 32' ' ' LEU . 24.3 mm -60.64 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.08 78.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.19 94.81 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.011 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -62.35 -39.65 93.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.586 0.231 . . . . 0.0 110.411 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.522 ' O ' HG23 ' B' ' 44' ' ' VAL . 86.5 mt -57.54 -57.91 8.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.39 -47.0 82.83 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 123.372 0.42 . . . . 0.0 111.325 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 26.3 m -60.57 -47.26 86.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.978 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -66.88 -33.63 76.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.613 0.244 . . . . 0.0 110.806 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 40' ' ' ILE . 94.4 t -64.9 -45.48 94.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.536 HD13 HD13 ' A' ' 69' ' ' LEU . 97.1 mt -63.91 -19.57 65.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.865 178.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -87.91 -66.77 0.88 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.355 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -113.43 6.55 17.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.963 1.098 . . . . 0.0 113.963 -163.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -127.25 -30.78 2.62 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.551 HG22 ' HB3' ' B' ' 53' ' ' GLN . 6.1 p -89.05 157.9 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.73 0.3 . . . . 0.0 110.97 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.07 152.4 38.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.78 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.53 -52.56 61.64 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -62.37 -34.89 77.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.275 0.559 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.551 ' HB3' HG22 ' B' ' 49' ' ' VAL . 12.7 tp60 -76.58 -25.74 54.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.837 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -48.81 -58.69 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.814 0.696 . . . . 0.0 112.443 -172.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -68.59 -39.49 80.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.8 -50.04 59.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.378 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.525 HG21 HG21 ' B' ' 49' ' ' VAL . 14.5 tt -67.23 -35.19 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.787 -174.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.18 86.65 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.076 0.465 . . . . 0.0 110.827 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.76 -43.51 62.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.294 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -57.56 -45.59 84.97 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.152 175.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -60.16 -49.38 77.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -60.86 -43.42 98.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.95 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.62 -40.73 84.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.529 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.73 -38.31 89.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.368 . . . . 0.0 110.411 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.31 -45.08 85.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.66 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 26.4 mmt -68.13 -30.47 69.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 111.036 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -72.24 -36.27 69.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.993 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -88.13 3.58 48.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.803 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.549 HD13 HD13 ' A' ' 45' ' ' LEU . 58.1 tp . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.251 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.8 112.58 8.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.759 175.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.92 -44.16 78.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.705 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 25.0 mm-40 -61.98 -45.83 91.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.435 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' O ' HG13 ' A' ' 15' ' ' ILE . 10.3 tt0 -63.61 -44.61 93.45 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.922 -175.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.37 -44.45 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.77 -39.99 95.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.438 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 73.3 mmtt -68.09 -41.61 81.59 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.872 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 11' ' ' GLN . 67.2 mt -60.89 -46.44 96.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 HG23 ' B' ' 36' ' ' ILE . 95.4 mt -59.68 -39.18 83.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.43 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.25 -44.93 93.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.084 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.29 -45.25 94.08 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.765 0.317 . . . . 0.0 110.696 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 87.9 t -62.46 -48.65 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 24' ' ' GLU . . . -62.88 -30.76 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.02 -45.58 91.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.269 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.51 -42.17 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.123 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.501 HD13 HG23 ' A' ' 33' ' ' THR . 73.1 mt -65.94 -42.21 90.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.538 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 3.5 tp10 -62.2 -50.81 70.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.757 -177.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -67.61 -29.49 68.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.35 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -82.68 -3.93 57.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.032 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.42 45.85 26.24 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.599 0.562 . . . . 0.0 110.329 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.45 117.63 8.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.992 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 m -58.1 152.96 37.66 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.607 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -52.14 -47.54 26.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.763 2.309 . . . . 0.0 112.857 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -57.43 -46.54 83.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.009 0.433 . . . . 0.0 110.074 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 tp -63.97 -51.46 64.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.746 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.501 HG23 HD13 ' A' ' 23' ' ' LEU . 40.3 m -54.21 -49.29 69.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.563 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' B' ' 61' ' ' PHE . 6.9 tt -72.92 -31.1 64.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.821 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -66.87 -35.83 80.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.7 mt -60.72 -42.07 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.307 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.92 89.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.071 0.463 . . . . 0.0 110.381 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.04 -39.14 93.0 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.186 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.62 -43.98 89.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 44' ' ' VAL . 81.8 mt -58.81 -57.0 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.391 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.64 74.54 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.351 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.5 m -54.91 -55.62 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.99 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -62.69 -40.73 98.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.62 0.248 . . . . 0.0 111.103 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 40' ' ' ILE . 97.6 t -65.78 -42.17 91.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.54 ' HA ' HG12 ' A' ' 49' ' ' VAL . 96.5 mt -66.38 -45.25 80.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.074 0.464 . . . . 0.0 110.642 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -68.78 -45.99 69.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.402 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -128.52 32.61 4.81 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -151.97 -48.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.065 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 45' ' ' LEU . 2.6 p -81.11 152.85 4.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.435 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.49 139.57 58.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.47 76.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.918 0.39 . . . . 0.0 110.806 177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 t -66.85 -23.76 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.348 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 5.6 tp-100 -97.1 -21.58 17.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.448 -178.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -52.21 -50.19 62.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.892 -167.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 6.8 tmtt? -71.63 -40.95 69.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.873 0.368 . . . . 0.0 110.357 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.34 -43.5 77.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.482 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.505 HG21 HG21 ' A' ' 49' ' ' VAL . 17.2 tt -71.2 -25.76 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.356 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.0 80.83 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.084 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 30.1 mm-40 -61.53 -43.72 98.34 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.927 174.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -58.11 -43.67 87.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.506 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.7 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 79.7 t80 -59.83 -54.17 49.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.588 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.09 -43.81 91.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.045 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.846 HE21 ' HA ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -61.54 -41.74 97.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.26 88.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.738 0.304 . . . . 0.0 110.417 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mp -58.35 -48.31 80.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.065 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.7 mmt -69.94 -34.02 72.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.758 -175.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.7 p -77.45 -26.52 51.57 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.382 -0.199 . . . . 0.0 111.452 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.0 p -105.39 10.98 33.22 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.063 0.459 . . . . 0.0 111.035 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' B' ' 54' ' ' ARG . 49.1 tp . . . . . 0 C--O 1.236 0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.751 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.449 -0.49 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.44 -37.9 70.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.192 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 37.4 tt0 -54.47 -57.62 10.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.47 178.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -61.42 -39.75 91.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.089 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.0 t -55.48 -50.04 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.96 -45.99 86.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.191 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 64.5 mmtt -66.7 -35.69 80.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.186 -174.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.414 ' O ' HG23 ' B' ' 19' ' ' VAL . 69.8 mt -69.48 -44.37 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 176.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.5 -38.03 71.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.481 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -63.77 -46.11 86.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.038 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 16.1 mm-40 -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.723 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 19' ' ' VAL . 98.0 t -63.23 -42.74 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.248 177.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.2 74.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.74 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 50.0 mt -65.79 -34.8 78.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.052 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.559 HG12 HG23 ' A' ' 15' ' ' ILE . 45.7 t -66.97 -42.84 89.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.59 -44.0 95.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.17 176.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.81 -43.2 98.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.91 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -63.04 -43.33 98.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.17 -177.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -87.77 -4.41 58.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.567 -178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.02 47.69 14.4 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.323 0.583 . . . . 0.0 110.452 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -63.41 130.88 46.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.342 -0.845 . . . . 0.0 112.334 -176.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -69.49 155.63 93.17 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.985 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.15 -49.52 16.02 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.08 2.52 . . . . 0.0 113.358 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.36 -36.43 82.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.833 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 28' ' ' ALA . 69.2 tp -62.77 -44.07 97.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 61.7 m -57.1 -51.06 70.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.281 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.83 -36.79 75.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.821 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.4 ttp -66.62 -32.58 74.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.99 0.424 . . . . 0.0 110.255 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.409 HG23 HD23 ' A' ' 16' ' ' LEU . 11.8 mt -63.16 -44.31 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 173.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.75 79.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.055 0.455 . . . . 0.0 110.524 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.79 -45.08 96.95 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.895 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -60.86 -39.15 88.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.36 0.124 . . . . 0.0 110.962 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.516 ' O ' HG23 ' B' ' 44' ' ' VAL . 76.4 mt -58.19 -57.79 9.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.577 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -55.48 -45.9 76.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.349 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 38.3 m -60.85 -43.1 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.288 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -60.78 -43.26 98.32 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 40' ' ' ILE . 58.5 t -62.55 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.614 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.5 mt -66.19 -22.7 66.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.908 -177.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -99.51 -40.59 7.77 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.944 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -105.37 -39.21 6.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -106.0 22.88 14.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -165.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 p -145.26 163.44 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.599 0.237 . . . . 0.0 110.531 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.9 147.88 42.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.019 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . 0.527 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . . . -59.69 -39.44 84.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.008 -176.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -79.69 -18.1 52.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.117 0.484 . . . . 0.0 110.688 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.466 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 8.0 tp-100 -85.86 -22.09 27.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.528 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.527 ' NE ' ' HA ' ' B' ' 51' ' ' ALA . 65.4 mtt-85 -46.22 -58.38 3.72 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.605 0.566 . . . . 0.0 112.38 -171.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -71.28 -40.01 71.17 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.359 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.24 -51.51 69.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.466 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.0 tt -72.19 -20.94 20.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.735 -176.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -48.51 44.89 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.741 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -79.84 -25.34 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.691 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -58.26 -46.93 85.11 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 168.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.7 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 35.9 t80 -61.98 -51.1 69.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.005 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -57.64 -41.0 80.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.668 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -63.77 -44.93 91.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.53 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.13 95.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.756 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.32 -45.52 93.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.462 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.5 mmt -68.15 -31.87 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.047 0.451 . . . . 0.0 110.584 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 25.8 t -68.09 -32.06 72.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.774 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.7 t -104.33 13.19 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.436 -178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.851 -179.231 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 C--O 1.238 0.469 0 CA-C-O 121.033 0.444 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 25.1 m -62.93 114.98 3.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 173.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -35.48 80.95 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -174.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -67.22 -37.22 83.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.651 175.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.557 ' O ' HG13 ' A' ' 15' ' ' ILE . 33.6 tt0 -54.22 -55.54 27.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.441 HG22 HD11 ' B' ' 32' ' ' LEU . 42.5 t -58.0 -49.76 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.061 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -55.37 -45.07 76.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.345 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -31.54 60.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.274 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.589 HG23 HG12 ' B' ' 22' ' ' VAL . 76.2 mt -64.29 -46.88 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 174.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.87 -36.74 72.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.812 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.92 92.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.49 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.4 mm-40 -70.01 -43.22 71.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.433 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 15' ' ' ILE . 91.2 t -58.35 -45.87 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.706 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.75 98.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.641 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.4 tt -60.95 -37.05 81.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.377 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.544 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 77.4 t -63.2 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.091 0.472 . . . . 0.0 110.714 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.1 mt -69.1 -39.8 78.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.699 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -34.68 78.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.589 0.233 . . . . 0.0 111.075 175.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 52.4 mtpt -60.58 -19.73 58.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.288 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -121.17 6.73 10.24 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.438 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.26 46.83 25.95 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.13 0.49 . . . . 0.0 110.956 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 137.02 58.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.967 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.8 p -82.52 163.19 53.19 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.604 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.77 -39.51 89.25 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.386 2.057 . . . . 0.0 111.653 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.89 -51.03 66.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.57 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 36' ' ' ILE . 54.6 tp -61.83 -40.82 96.64 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.632 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.3 m -57.11 -46.38 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.39 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.5 -30.4 64.48 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttp -68.2 -34.93 77.17 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.935 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 41.4 mm -56.91 -50.07 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.55 96.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.021 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -45.23 96.3 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.953 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -66.53 -34.44 77.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.57 0.185 . . . . 0.0 110.638 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 36' ' ' ILE . 67.6 mt -58.31 -54.68 29.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 173.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.554 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.32 -44.0 88.43 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.98 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.3 m -61.17 -45.19 95.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.886 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -58.88 -42.25 89.03 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.974 0.416 . . . . 0.0 110.238 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.697 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 69.9 t -62.21 -49.64 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.987 175.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 97.5 mt -60.54 -19.69 57.97 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.708 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.5 -59.41 2.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.777 0.323 . . . . 0.0 111.377 178.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -114.32 -31.72 6.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -169.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.697 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 41.7 mtt180 -96.95 15.83 21.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -168.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG22 ' HB3' ' A' ' 53' ' ' GLN . 4.0 p -138.75 161.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.85 146.71 37.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -56.16 -42.0 76.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.946 0.403 . . . . 0.0 111.491 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.5 m -77.41 -2.69 36.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.443 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.863 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -107.12 -18.4 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.322 -0.236 . . . . 0.0 111.532 -176.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 66.3 mtt-85 -47.65 -63.21 1.12 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -171.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HA ' HD11 ' B' ' 69' ' ' LEU . 8.8 tmtm? -69.14 -35.43 76.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.839 -174.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 56' ' ' LEU . 40.5 mt -67.51 -47.63 69.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.581 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.567 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 16.2 tt -68.1 -27.26 36.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.02 -178.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.49 83.0 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.76 174.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 57.3 mm-40 -64.2 -46.98 81.53 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.195 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 28.0 mtpp -53.97 -46.4 71.65 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.416 176.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.603 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 82.6 t80 -59.11 -50.98 71.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.044 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.45 -44.12 96.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.322 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -60.99 -40.64 94.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.052 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.15 -36.3 81.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.979 0.419 . . . . 0.0 110.682 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.8 tp -69.98 -40.75 75.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.701 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 23.6 mmt -70.56 -31.44 68.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.713 0.292 . . . . 0.0 111.533 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 p -79.06 -23.77 44.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.919 0.39 . . . . 0.0 110.84 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 m -91.39 -1.26 57.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.283 0.563 . . . . 0.0 110.172 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' B' ' 54' ' ' ARG . 59.7 tp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.275 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.517 ' HB ' ' CB ' ' B' ' 11' ' ' GLN . 10.8 m . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.31 -47.5 83.52 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.872 0.367 . . . . 0.0 111.056 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 2.6 tt0 -57.59 -41.33 80.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.511 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.517 ' CB ' ' HB ' ' B' ' 8' ' ' THR . 7.8 tt0 -63.11 -37.66 88.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.13 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 8' ' ' THR . 98.9 t -57.96 -45.79 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.97 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.14 -35.53 81.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.423 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 34.3 mmtp -64.55 -43.8 92.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.621 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.511 HG13 ' O ' ' B' ' 11' ' ' GLN . 76.2 mt -60.72 -46.21 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.509 HD23 HG23 ' A' ' 36' ' ' ILE . 89.8 mt -57.26 -43.6 83.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.574 177.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -61.21 -46.35 90.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.85 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.517 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.3 mt-10 -59.2 -46.53 88.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.617 178.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.465 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 98.7 t -62.05 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.761 178.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.07 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 50.2 mt -69.92 -32.44 70.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.972 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.589 HG12 HG23 ' A' ' 15' ' ' ILE . 85.6 t -64.41 -40.53 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.354 0.597 . . . . 0.0 109.497 174.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 67.2 mt -62.36 -52.17 64.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.124 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.89 -34.54 76.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.944 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -58.86 -32.83 69.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.419 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -106.6 8.72 31.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.706 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.5 35.08 17.69 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.305 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' B' ' 23' ' ' LEU . . . -61.18 129.73 42.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.398 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.6 p -72.66 164.61 58.89 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.407 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 50.4 Cg_exo -54.89 -35.65 89.61 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.325 2.017 . . . . 0.0 111.505 173.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.94 -52.84 63.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.464 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.441 HD11 HG22 ' A' ' 12' ' ' VAL . 49.5 tp -65.21 -34.82 79.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.374 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 94.4 m -55.13 -54.64 40.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.972 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tt -73.19 -31.68 64.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.444 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ttm -57.95 -44.66 87.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.421 0.629 . . . . 0.0 110.016 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.498 ' O ' HG13 ' B' ' 40' ' ' ILE . 50.2 mt -66.76 -37.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.196 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.06 -41.58 83.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.058 0.456 . . . . 0.0 110.558 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.81 -41.29 97.61 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.04 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -58.79 -40.4 83.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.653 0.263 . . . . 0.0 110.547 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 36' ' ' ILE . 76.7 mt -60.07 -57.56 11.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.574 178.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.533 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -54.96 -43.8 73.8 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 123.168 0.293 . . . . 0.0 111.351 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.1 m -65.32 -44.78 86.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.331 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.77 -32.84 74.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 110.443 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 40' ' ' ILE . 80.8 t -63.73 -44.28 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 96.8 mt -61.6 -34.02 74.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.712 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -73.65 -50.42 21.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.26 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -110.48 -67.11 1.01 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -172.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.03 49.2 1.48 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -168.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -163.38 164.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.612 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.56 146.66 23.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.259 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.13 -39.38 72.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 111.39 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.1 t -67.2 -19.9 65.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.946 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -97.42 -18.94 18.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.912 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.666 ' HB3' HD11 ' A' ' 69' ' ' LEU . 95.2 mtt180 -51.39 -58.31 6.58 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.579 ' HE2' ' HB2' ' B' ' 59' ' ' GLU . 10.2 tptm -62.89 -45.06 94.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.956 -178.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.79 -50.23 71.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.746 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 16.5 tt -70.36 -30.88 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.361 -172.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.91 -41.36 59.87 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.049 0.452 . . . . 0.0 110.439 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . 0.579 ' HB2' ' HE2' ' B' ' 55' ' ' LYS . 38.8 tt0 -66.8 -41.87 86.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.105 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -66.91 -29.79 69.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.327 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.603 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 86.9 t80 -67.8 -49.1 64.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.191 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -58.7 -40.69 84.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.726 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.14 -48.63 80.9 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.577 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.97 81.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.001 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 29.0 tp -66.75 -34.3 77.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.358 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.2 mmt -73.68 -24.51 59.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.079 0.466 . . . . 0.0 110.007 176.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.2 t -73.57 -36.53 65.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.303 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.7 p -91.24 -7.28 51.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.115 0.483 . . . . 0.0 111.062 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 55' ' ' LYS . 7.0 tt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.183 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.571 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 65.3 m-85 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.646 ' HB ' ' HG2' ' A' ' 11' ' ' GLN . 58.9 m -67.84 123.36 20.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 173.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.41 -38.67 74.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.445 -175.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.5 mm-40 -52.3 -47.14 66.11 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 176.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.646 ' HG2' ' HB ' ' A' ' 8' ' ' THR . 11.8 mm100 -55.95 -50.71 70.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.458 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.544 HG22 HD11 ' B' ' 32' ' ' LEU . 45.0 t -61.65 -50.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.934 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.64 -43.29 93.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.631 -174.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 67.9 mmtt -75.35 -38.5 60.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.149 -174.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 19' ' ' VAL . 76.3 mt -63.53 -49.78 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.41 HD23 HG23 ' B' ' 36' ' ' ILE . 80.9 mt -56.03 -40.98 74.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.806 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.88 52.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.162 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.564 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.1 mt-10 -65.08 -40.56 94.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.32 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 71.3 t -60.99 -50.31 81.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.584 0.23 . . . . 0.0 110.792 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -62.52 -36.28 82.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.64 -43.19 97.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 177.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 18' ' ' GLU . 84.7 t -61.57 -39.17 82.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.658 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 45.7 mt -59.47 -51.86 68.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.179 176.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.84 -26.62 65.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.216 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.27 -38.9 92.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.762 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -99.69 7.86 44.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.91 43.02 22.09 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.492 0.495 . . . . 0.0 111.297 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -65.1 132.29 48.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.605 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 m -75.05 163.88 65.11 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.089 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -50.08 14.39 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.66 2.24 . . . . 0.0 112.76 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -59.65 -41.93 91.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.772 0.32 . . . . 0.0 110.585 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 28' ' ' ALA . 39.8 tp -62.0 -49.29 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.223 177.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.531 HG23 HD13 ' A' ' 23' ' ' LEU . 54.0 m -57.27 -50.85 71.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.771 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tt -68.85 -33.81 74.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.026 -175.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.6 tmm? -63.7 -35.58 81.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 40' ' ' ILE . 67.4 mt -60.52 -46.57 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.4 175.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.38 92.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.024 0.44 . . . . 0.0 110.844 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.8 95.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.822 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -61.14 -41.48 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 176.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 36' ' ' ILE . 48.6 mm -57.18 -62.03 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.065 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.6 75.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.707 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.3 m -57.03 -49.08 76.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.954 0.406 . . . . 0.0 110.606 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -68.48 -40.23 81.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.302 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 40' ' ' ILE . 85.5 t -60.01 -47.4 91.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.725 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.991 HD13 HD12 ' B' ' 69' ' ' LEU . 88.0 mt -63.64 -40.59 97.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.49 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -79.36 -16.08 56.85 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -124.41 -63.55 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -175.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -104.94 62.96 0.7 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 -169.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.44 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 2.9 p -168.84 150.54 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 172.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.19 135.64 53.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.985 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.96 80.68 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.216 0.323 . . . . 0.0 111.754 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.3 m -68.86 -39.42 79.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.156 0.503 . . . . 0.0 110.247 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -78.27 -23.31 47.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.234 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -53.34 -48.61 68.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.748 -1.114 . . . . 0.0 112.923 -170.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.944 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -70.07 -45.28 67.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.858 0.361 . . . . 0.0 110.485 -176.713 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -65.96 -45.07 83.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.246 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.7 tt -67.43 -26.16 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.373 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.37 -44.03 53.96 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.853 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -44.99 96.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.161 0.505 . . . . 0.0 110.365 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -64.85 -35.26 80.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.603 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.413 ' HE1' ' CA ' ' B' ' 38' ' ' GLY . 66.0 t80 -59.91 -52.06 67.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.402 175.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.27 96.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.737 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.455 HE21 ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -59.73 -47.74 84.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.175 178.727 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.455 ' N ' HE21 ' A' ' 63' ' ' GLN . . . -64.62 -39.66 94.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.911 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 tp -66.0 -47.16 75.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.0 tpp -71.23 -31.8 68.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.1 -176.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.8 p -77.2 -31.81 55.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.7 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 m -86.29 -1.06 57.16 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.531 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.811 HD11 ' HB3' ' B' ' 54' ' ' ARG . 62.8 tp . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.554 ' HB ' ' HG3' ' B' ' 11' ' ' GLN . 27.1 m . . . . . 0 N--CA 1.447 -0.615 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.94 -28.11 69.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.937 -173.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.26 -30.21 68.28 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.8 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.557 ' O ' HG13 ' B' ' 15' ' ' ILE . 22.7 mt-30 -64.22 -48.33 76.28 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.46 HG22 HD11 ' A' ' 32' ' ' LEU . 61.0 t -55.13 -50.59 62.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.434 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -54.59 -47.52 73.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.327 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -66.83 -36.6 82.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 11' ' ' GLN . 58.8 mt -67.42 -49.1 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.403 HD23 HG23 ' A' ' 36' ' ' ILE . 99.1 mt -56.27 -42.33 77.27 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.701 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -52.04 66.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.256 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.525 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.0 mt-10 -67.82 -38.45 83.27 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.136 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.5 ' O ' HD13 ' B' ' 23' ' ' LEU . 65.3 t -64.69 -53.39 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.583 0.23 . . . . 0.0 111.178 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.32 -30.27 71.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.954 0.407 . . . . 0.0 110.871 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 tt -65.61 -35.21 80.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.533 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 18' ' ' GLU . 71.0 t -68.49 -43.6 83.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.2 0.524 . . . . 0.0 109.845 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.5 HD13 ' O ' ' B' ' 19' ' ' VAL . 4.7 mp -57.61 -48.87 78.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.865 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.38 -47.47 67.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.442 -176.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -68.92 -21.65 64.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -96.46 3.37 52.82 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.964 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.79 48.18 14.2 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.198 0.523 . . . . 0.0 111.004 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.1 123.37 21.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.865 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -58.37 151.44 49.04 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.164 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.61 -48.34 21.87 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.742 2.295 . . . . 0.0 113.058 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.571 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -65.03 -41.86 94.88 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.544 HD11 HG22 ' A' ' 12' ' ' VAL . 54.8 tp -61.43 -42.2 98.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.329 177.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 96.6 m -53.18 -45.99 68.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.752 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tt -75.7 -34.99 60.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.667 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.7 ttp -66.55 -32.16 73.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.94 0.4 . . . . 0.0 110.393 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 15' ' ' ILE . 47.8 mt -64.88 -42.27 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.259 175.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.438 ' HA ' HD12 ' B' ' 40' ' ' ILE . . . -60.48 -36.23 77.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.267 175.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.413 ' CA ' ' HE1' ' A' ' 61' ' ' PHE . . . -64.18 -41.78 98.23 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.071 175.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -61.21 -40.22 93.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.607 0.242 . . . . 0.0 110.376 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' B' ' 37' ' ' ALA . 84.8 mt -55.67 -58.65 4.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.06 175.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -56.0 -46.38 78.74 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.49 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 67.0 m -56.49 -53.78 53.44 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.939 0.4 . . . . 0.0 111.172 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.44 -37.16 86.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 69.4 t -68.21 -44.51 84.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.835 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.538 ' O ' HG12 ' B' ' 49' ' ' VAL . 94.1 mt -62.4 -45.14 94.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.873 0.368 . . . . 0.0 111.371 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -81.08 -23.08 38.71 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -125.87 -23.49 3.97 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -173.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.416 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 82.3 mtt180 -118.84 -6.93 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -171.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.538 HG12 ' O ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -119.61 162.96 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.631 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' B' ' 53' ' ' GLN . . . -65.36 138.56 58.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.461 -177.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.92 94.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -66.15 -26.39 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.353 0.597 . . . . 0.0 110.61 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.57 ' HB2' ' HB3' ' B' ' 50' ' ' ALA . 8.2 tp60 -92.87 -17.48 24.0 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.441 -171.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.811 ' HB3' HD11 ' A' ' 69' ' ' LEU . 91.8 mtt180 -50.06 -59.97 3.39 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -172.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 9.7 tmtt? -68.86 -34.73 75.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.004 0.431 . . . . 0.0 110.464 -175.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.31 -47.79 54.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.833 -175.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.408 HG22 ' O ' ' B' ' 53' ' ' GLN . 16.8 tt -73.21 -32.21 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.66 -176.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.51 -35.02 78.3 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.156 0.503 . . . . 0.0 109.991 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.31 -49.9 69.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.675 176.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -58.91 -42.21 89.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.16 -47.84 80.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.837 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -64.23 -45.41 88.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.273 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -45.01 96.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.76 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.93 99.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.749 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.02 -37.97 89.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.918 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.6 mmt -71.86 -24.32 61.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.044 0.45 . . . . 0.0 110.57 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 24.4 m -82.13 -26.03 33.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.839 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.9 p -95.8 3.58 53.63 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.464 0.649 . . . . 0.0 110.288 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.991 HD12 HD13 ' A' ' 45' ' ' LEU . 9.6 tt . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.131 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 67.1 m-85 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 121.158 0.504 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 11' ' ' GLN . 4.0 t -111.11 140.14 45.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.797 174.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -62.22 -31.48 72.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.284 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 7.5 tp10 -59.7 -53.59 56.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.51 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 15' ' ' ILE . 54.0 tt0 -62.15 -46.78 87.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.664 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.52 HG22 HD11 ' B' ' 32' ' ' LEU . 57.4 t -61.64 -41.67 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.687 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.57 -45.27 81.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 67.6 mmtt -63.69 -42.18 98.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.531 -176.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 11' ' ' GLN . 39.7 mt -63.82 -51.96 63.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.089 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.448 ' CD2' HG23 ' B' ' 36' ' ' ILE . 85.5 mt -56.94 -41.36 78.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.308 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.44 93.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.321 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 22' ' ' VAL . 39.2 mt-10 -76.16 -32.0 58.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.327 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 78.1 t -60.86 -46.88 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 174.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -64.58 -31.83 73.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.671 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.19 -39.4 92.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.212 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 18' ' ' GLU . 99.8 t -65.49 -41.22 90.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.22 177.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 62.7 mt -61.1 -49.66 76.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.28 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -60.14 -39.11 85.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.437 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -58.08 -43.88 87.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.205 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -94.77 7.81 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.595 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.93 42.54 28.63 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.425 0.631 . . . . 0.0 110.45 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -63.17 115.75 4.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.185 -176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 p -63.09 157.83 59.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.631 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HB3' ' O ' ' B' ' 48' ' ' ARG . 72.3 Cg_exo -50.35 -45.0 36.27 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.897 2.398 . . . . 0.0 112.406 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -64.33 -45.57 87.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 28' ' ' ALA . 53.8 tp -61.19 -45.08 96.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.246 177.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.483 HG23 HD13 ' A' ' 23' ' ' LEU . 93.7 m -55.67 -51.56 66.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.481 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.24 -30.79 65.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.606 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -67.45 -36.12 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.105 0.478 . . . . 0.0 110.05 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.48 HG23 HD23 ' B' ' 16' ' ' LEU . 34.6 mt -61.08 -45.68 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.439 174.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.28 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.25 -44.2 98.41 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.897 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -59.76 -46.84 87.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 44' ' ' VAL . 85.1 mt -53.58 -58.79 2.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.92 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -178.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.0 m -62.45 -42.74 99.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.399 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -37.53 85.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.917 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 40' ' ' ILE . 86.2 t -65.73 -49.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.42 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' HA ' HG11 ' A' ' 49' ' ' VAL . 96.6 mt -58.15 -45.78 86.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.73 -178.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -77.72 -22.79 49.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.776 -174.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -106.81 -71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -112.59 79.18 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -168.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 45' ' ' LEU . 4.2 p -172.42 159.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.88 125.07 24.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.462 0.173 . . . . 0.0 110.546 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.75 67.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.363 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 p -73.81 -16.91 61.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 0.0 111.051 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.49 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 8.6 tp-100 -97.5 -13.86 21.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.573 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -51.89 -61.84 2.0 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -174.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -57.46 -44.77 85.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.711 0.291 . . . . 0.0 111.264 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.541 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 57.8 mt -62.74 -51.05 68.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.637 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.49 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 13.8 tt -72.61 -22.91 20.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.827 -174.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.68 -36.0 60.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.108 0.48 . . . . 0.0 109.94 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -48.34 78.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.697 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 88.5 mttt -59.06 -41.7 88.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.238 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.464 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 83.0 t80 -58.74 -55.96 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.699 177.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.14 85.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -64.88 -36.26 83.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.74 95.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.695 0.283 . . . . 0.0 110.597 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp -57.63 -41.92 82.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.983 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.555 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . 54.7 mtt -85.18 -13.6 49.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.352 -175.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.8 t -82.82 -38.22 23.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.279 0.561 . . . . 0.0 109.49 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -97.65 14.82 25.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.745 HD21 ' HG2' ' B' ' 55' ' ' LYS . 23.7 tp . . . . . 0 C--O 1.234 0.273 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.574 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.525 ' HB ' ' HB3' ' B' ' 11' ' ' GLN . 4.8 m . . . . . 0 C--O 1.233 0.229 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -64.26 -40.44 96.0 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -170.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.559 ' HG2' ' HD3' ' B' ' 14' ' ' LYS . 18.7 tt0 -70.0 -36.66 75.3 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.382 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.542 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.6 tt0 -61.68 -46.22 90.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.342 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.8 -44.39 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.316 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -54.98 -46.28 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.485 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.559 ' HD3' ' HG2' ' B' ' 10' ' ' GLU . 1.4 mptm? -65.36 -42.91 92.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.558 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 11' ' ' GLN . 64.8 mt -63.69 -42.34 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.48 HD23 HG23 ' A' ' 36' ' ' ILE . 91.7 mt -59.26 -42.84 92.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.359 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.49 99.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.933 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.2 mt-10 -62.96 -46.7 86.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.91 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.493 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 81.5 t -59.86 -45.06 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.367 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -60.76 -36.02 77.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.086 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 55.0 mt -69.41 -32.4 71.36 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.983 177.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 18' ' ' GLU . 96.3 t -63.47 -40.17 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 20' ' ' ALA . 39.0 mt -62.86 -53.3 56.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.023 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.11 -35.9 78.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.904 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' B' ' 21' ' ' LEU . 13.4 tmtt? -68.41 -24.53 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.817 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -110.41 11.89 23.13 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.35 -0.218 . . . . 0.0 111.388 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.26 47.85 13.53 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.627 0.579 . . . . 0.0 111.292 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' B' ' 23' ' ' LEU . . . -85.85 115.43 23.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.923 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.721 ' HB2' ' OE2' ' B' ' 31' ' ' GLU . 4.7 m -69.47 161.76 71.57 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.344 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 9.4 Cg_endo -52.96 -41.14 73.35 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.156 2.571 . . . . 0.0 113.653 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.721 ' OE2' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -69.1 -40.41 78.41 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.266 -178.136 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 57.0 tp -62.81 -42.23 99.63 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 172.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' B' ' 30' ' ' PRO . 53.5 m -53.29 -47.75 68.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.173 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.11 -37.21 78.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.53 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.1 ttp -65.54 -32.57 74.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.124 0.488 . . . . 0.0 109.98 176.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 16' ' ' LEU . 34.6 mt -64.36 -43.08 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.765 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.59 79.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.556 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.19 99.73 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.799 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -60.35 -44.11 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.548 0.213 . . . . 0.0 110.601 176.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.471 ' O ' HG23 ' B' ' 44' ' ' VAL . 77.2 mt -56.89 -59.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.53 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.487 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -55.15 -48.71 73.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.656 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 34.5 m -61.09 -44.85 96.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.481 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' B' ' 47' ' ' GLN . 80.4 m-20 -65.1 -36.09 83.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.536 0.207 . . . . 0.0 110.785 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 40' ' ' ILE . 74.2 t -63.6 -43.82 98.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.7 0.286 . . . . 0.0 110.239 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.506 ' HA ' HG11 ' B' ' 49' ' ' VAL . 94.4 mt -63.22 -28.58 70.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.235 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -73.17 -47.77 40.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.472 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 43' ' ' ASN . 10.0 pt20 -115.81 -62.56 1.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -172.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 93.8 mtt180 -85.96 59.16 5.46 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.506 HG11 ' HA ' ' B' ' 45' ' ' LEU . 8.0 p -166.56 152.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 172.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 131.75 51.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.155 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.23 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.4 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -75.88 -13.33 60.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.827 0.346 . . . . 0.0 111.623 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.502 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.9 tp-100 -96.29 -16.54 21.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.422 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -48.37 -56.21 8.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -172.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.745 ' HG2' HD21 ' A' ' 69' ' ' LEU . 47.6 mtpt -75.89 -35.01 59.98 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.329 -175.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -65.5 -47.37 76.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.97 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.502 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 15.1 tt -71.06 -27.15 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.902 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.09 -39.02 72.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.09 0.471 . . . . 0.0 110.282 176.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -65.03 -46.78 79.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 175.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.27 -38.45 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.574 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . 0.464 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 74.5 t80 -67.36 -48.44 67.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.003 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.71 94.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.307 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -67.9 -33.29 74.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.385 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.61 94.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.742 0.306 . . . . 0.0 110.404 176.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.63 -44.83 95.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.196 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mmt -71.2 -29.89 65.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.432 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.9 p -84.59 -24.95 28.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.702 0.287 . . . . 0.0 111.067 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 18.2 m -94.3 2.02 55.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.372 0.606 . . . . 0.0 110.241 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 tp . . . . . 0 N--CA 1.451 -0.413 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.625 178.387 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 . . . . . 0 C--O 1.235 0.32 0 CA-C-O 121.015 0.436 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.76 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 18.8 m -88.69 131.5 34.98 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.63 -60.82 2.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.529 -175.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 42.3 mt-10 -64.51 -27.99 69.35 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.328 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.76 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 59.0 tt0 -58.63 -51.99 67.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 48.9 t -64.85 -51.35 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.703 177.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 16' ' ' LEU . 34.6 tt0 -65.03 -37.45 87.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.375 -172.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -76.97 -32.29 57.17 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.038 -178.103 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.8 -42.17 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.614 HD23 HG23 ' B' ' 36' ' ' ILE . 91.9 mt -56.31 -46.25 79.9 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.22 174.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.7 88.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.687 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.4 mt-10 -66.52 -44.89 81.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.64 0.257 . . . . 0.0 110.535 177.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.507 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 87.0 t -59.62 -46.87 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.115 0.483 . . . . 0.0 110.298 176.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.44 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -61.49 -33.61 74.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.81 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.7 tp -69.1 -38.43 78.95 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.478 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 18' ' ' GLU . 97.0 t -62.12 -36.58 75.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.548 0.69 . . . . 0.0 109.397 176.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 73.7 mt -63.78 -51.33 65.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.086 175.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.95 -38.15 90.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.68 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 6.2 tmtm? -51.82 -42.13 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.294 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -99.25 7.06 46.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.05 40.13 31.83 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.834 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.37 131.37 50.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.627 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 55.1 m -76.85 162.16 71.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.988 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 82.1 Cg_exo -48.48 -47.16 21.2 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.295 2.663 . . . . 0.0 113.709 -177.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.44 -47.56 85.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' CD1' HG22 ' B' ' 12' ' ' VAL . 47.2 tp -58.93 -40.51 84.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.299 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.47 HG23 HD13 ' A' ' 23' ' ' LEU . 92.9 m -55.35 -52.92 61.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.335 177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 tt -73.35 -31.94 64.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.538 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.6 ttm -60.0 -42.13 93.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.318 0.58 . . . . 0.0 110.1 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.613 HG23 HD23 ' B' ' 16' ' ' LEU . 71.4 mt -64.45 -40.03 87.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.758 178.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.99 83.27 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.99 0.424 . . . . 0.0 110.388 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.13 -40.74 95.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.147 177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -61.33 -39.71 91.54 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 36' ' ' ILE . 77.6 mt -59.3 -55.31 24.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.289 176.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.636 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -54.03 -50.95 65.52 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.56 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.9 p -62.7 -48.33 79.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -34.0 75.68 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 111.1 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 40' ' ' ILE . 76.9 t -66.34 -44.76 90.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.225 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 86.7 mt -59.09 -49.14 79.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.219 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -53.55 -57.58 10.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.735 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -98.02 -44.36 6.68 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -167.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -92.8 -37.01 12.55 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.458 0.911 . . . . 0.0 113.458 -166.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.572 HG22 ' HB3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -91.3 151.26 3.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.338 -173.203 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.27 156.61 29.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.385 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HA ' ' HG2' ' A' ' 54' ' ' ARG . . . -60.0 -38.99 84.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.45 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 t -64.3 -31.54 72.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.26 0.552 . . . . 0.0 110.342 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.572 ' HB3' HG22 ' A' ' 49' ' ' VAL . 10.3 tp60 -82.79 -21.54 34.53 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.123 -174.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 51' ' ' ALA . 25.4 mmt85 -43.68 -60.01 1.97 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.05 0.844 . . . . 0.0 112.644 -173.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -59.72 -49.79 76.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.051 0.453 . . . . 0.0 111.164 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB2' HE21 ' A' ' 53' ' ' GLN . 80.5 mt -66.51 -47.23 73.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.278 -174.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.922 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 15.8 tt -68.74 -30.15 46.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.799 -175.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.93 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.341 . . . . 0.0 110.667 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -73.88 -32.01 63.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.893 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.922 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 48.3 mtpt -53.74 -46.98 71.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.314 0.578 . . . . 0.0 109.883 170.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.53 ' HB2' HD21 ' B' ' 34' ' ' LEU . 57.9 t80 -60.66 -53.05 62.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.409 177.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.596 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.99 -42.78 99.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.71 -176.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -60.32 -53.8 53.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.674 0.273 . . . . 0.0 110.567 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.43 -35.41 70.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.759 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -69.96 -40.78 75.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 23.2 mmt -73.43 -32.97 64.69 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -71.83 -22.03 61.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.007 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.9 m -105.04 7.46 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.097 0.475 . . . . 0.0 110.745 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.536 HD13 HD13 ' B' ' 45' ' ' LEU . 58.6 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.988 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' B' ' 11' ' ' GLN . 2.0 p . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -65.03 -35.14 80.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.788 0.327 . . . . 0.0 110.776 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.49 -36.22 79.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.275 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . 0.529 ' HB2' ' OG1' ' B' ' 8' ' ' THR . 38.6 tt0 -63.82 -58.79 5.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.263 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' A' ' 32' ' ' LEU . 45.5 t -52.6 -56.8 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.309 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -50.75 -51.54 49.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.309 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -84.3 -19.3 33.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.994 -169.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . 0.512 HG13 ' O ' ' B' ' 11' ' ' GLN . 76.4 mt -70.53 -41.31 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 170.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.613 HD23 HG23 ' A' ' 36' ' ' ILE . 95.7 mt -56.59 -41.84 77.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.228 174.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.77 87.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.221 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.413 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.8 mt-10 -67.03 -44.32 80.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.895 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 78.5 t -60.8 -49.96 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 111.015 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.48 -32.84 74.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.33 -43.27 95.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.339 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 18' ' ' GLU . 99.2 t -61.74 -41.5 90.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.341 0.591 . . . . 0.0 110.313 178.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.527 HD13 HG23 ' B' ' 33' ' ' THR . 63.9 mt -64.8 -46.17 83.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.693 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.34 -37.54 85.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.058 0.456 . . . . 0.0 110.378 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -63.68 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -87.39 7.37 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.33 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.6 36.62 16.68 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.51 0.506 . . . . 0.0 111.218 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.495 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -67.46 114.82 6.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.808 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.457 ' OG ' ' HD2' ' B' ' 30' ' ' PRO . 4.9 t -71.48 153.64 93.7 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.246 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . 0.457 ' HD2' ' OG ' ' B' ' 29' ' ' SER . 8.7 Cg_exo -35.19 -53.35 0.73 Allowed 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.297 3.331 . . . . 0.0 114.371 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -57.78 -46.25 84.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.889 0.376 . . . . 0.0 111.199 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.558 ' O ' HG12 ' B' ' 36' ' ' ILE . 53.9 tp -64.86 -47.75 76.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.979 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' THR . . . . . 0.527 HG23 HD13 ' B' ' 23' ' ' LEU . 52.4 m -55.2 -50.68 68.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.586 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 61' ' ' PHE . 6.6 tt -69.71 -34.67 74.22 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.345 -176.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 39.9 ttp -69.36 -30.45 68.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.259 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.614 HG23 HD23 ' A' ' 16' ' ' LEU . 23.9 mm -58.11 -50.25 78.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 172.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.12 81.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.008 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.84 -42.91 99.74 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.148 -0.549 . . . . 0.0 112.169 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -63.44 -41.84 98.67 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.564 HG12 ' O ' ' B' ' 36' ' ' ILE . 50.2 mm -54.46 -52.89 35.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.682 178.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -60.62 -43.59 97.32 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.686 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 85.6 m -58.37 -49.93 75.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' B' ' 47' ' ' GLN . 15.4 m120 -56.98 -46.54 82.16 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 121.04 0.448 . . . . 0.0 110.313 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' B' ' 48' ' ' ARG . 55.7 t -61.32 -42.5 93.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.536 HD13 HD13 ' A' ' 69' ' ' LEU . 95.1 mt -63.08 -23.68 67.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.931 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.421 ' N ' HD22 ' B' ' 46' ' ' ASN . 0.9 OUTLIER -90.06 -46.87 8.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.86 179.138 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' B' ' 43' ' ' ASN . 5.9 pt20 -134.35 26.26 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -166.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.581 ' HB2' HG13 ' B' ' 44' ' ' VAL . 12.7 mmm180 -142.02 -36.23 0.42 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.347 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.528 HG21 HG21 ' B' ' 57' ' ' ILE . 9.9 p -88.37 152.93 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.18 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 152.55 44.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.438 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.37 -46.9 87.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.351 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -29.59 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.299 0.571 . . . . 0.0 110.092 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' B' ' 56' ' ' LEU . 10.4 tp60 -88.54 -6.39 57.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.441 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -60.03 -66.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -168.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -72.32 -30.4 64.74 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.844 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.455 ' HB3' HE21 ' B' ' 53' ' ' GLN . 4.7 tt -62.99 -45.73 91.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.963 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.528 HG21 HG21 ' B' ' 49' ' ' VAL . 9.8 tt -72.86 -26.16 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.3 82.25 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.112 0.482 . . . . 0.0 110.134 174.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.89 -47.26 72.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.15 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' B' ' 57' ' ' ILE . 86.9 tttt -52.73 -49.72 64.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.262 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -69.17 -48.76 61.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.517 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.88 -43.39 94.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.403 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.98 -36.95 80.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.094 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.62 96.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.035 0.445 . . . . 0.0 110.146 176.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 25.3 tp -63.49 -40.63 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.358 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.6 mmt -72.97 -29.49 63.1 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.357 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 27.1 t -72.85 -24.02 60.83 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 176.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -98.4 9.19 43.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.547 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.225 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 N--CA 1.48 1.068 0 CA-C-O 120.681 0.277 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -84.86 24.72 0.74 Allowed 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.058 2.505 . . . . 0.0 113.946 -173.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.445 ' H ' HG13 ' A' ' 3' ' ' ILE . 2.7 pp -97.37 151.04 4.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.824 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.1 m 73.85 -31.43 0.22 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.037 0.535 . . . . 0.0 112.167 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.465 ' C ' ' H ' ' A' ' 7' ' ' TYR . 6.0 p -78.24 -95.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.704 0.261 . . . . 0.0 111.704 -177.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 5' ' ' SER . 54.9 tttm 69.27 -13.33 0.37 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.84 0.456 . . . . 0.0 111.132 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.465 ' H ' ' C ' ' A' ' 5' ' ' SER . 35.4 m-85 -82.67 163.01 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.733 0.301 . . . . 0.0 110.367 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.509 HG22 ' HB3' ' A' ' 10' ' ' GLU . 23.4 m -64.3 125.94 26.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.588 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -65.16 -32.65 74.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.707 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.509 ' HB3' HG22 ' A' ' 8' ' ' THR . 10.7 tp10 -52.53 -52.82 52.89 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.166 0.507 . . . . 0.0 109.733 171.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.55 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.2 tt0 -59.72 -55.03 39.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.922 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.427 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.1 t -57.3 -49.81 78.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.53 -176.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -60.08 -42.84 95.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.091 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 31.4 mmtp -67.97 -33.77 75.28 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.109 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 11' ' ' GLN . 61.3 mt -69.33 -44.36 80.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 95.7 mt -56.62 -42.17 78.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.6 177.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.72 -45.64 85.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.14 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -71.16 -38.19 72.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.429 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG13 HG13 ' B' ' 19' ' ' VAL . 79.8 t -64.21 -48.28 86.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.883 0.373 . . . . 0.0 110.543 178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.68 -28.96 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.689 178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.543 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 10.1 tt -61.36 -40.52 94.6 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.119 177.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.61 -37.26 79.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.188 0.518 . . . . 0.0 110.695 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 33' ' ' THR . 80.4 mt -70.14 -43.39 71.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.453 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -66.24 -37.37 85.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.39 0.614 . . . . 0.0 109.992 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 21' ' ' LEU . 2.9 tmtt? -56.78 -38.62 72.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.383 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -103.23 11.9 36.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.487 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.63 42.69 29.23 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.485 0.491 . . . . 0.0 111.543 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.535 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -61.91 123.69 18.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.197 0.522 . . . . 0.0 111.612 -177.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.519 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 10.4 m -76.48 163.75 64.05 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.823 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 3.3 Cg_endo -46.45 -55.31 3.86 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.372 2.715 . . . . 0.0 114.304 -176.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -62.77 -41.88 99.44 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.998 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.608 ' O ' HG12 ' A' ' 36' ' ' ILE . 47.4 tp -59.25 -47.66 84.52 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.504 HG23 HD13 ' A' ' 23' ' ' LEU . 85.8 m -52.61 -51.87 58.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.429 178.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.58 -32.05 62.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.744 -174.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.9 ttp -71.05 -30.77 67.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.515 177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.608 HG12 ' O ' ' A' ' 32' ' ' LEU . 26.8 mm -60.72 -46.8 95.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 171.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.27 85.04 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.018 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.429 ' CA ' ' HE1' ' B' ' 61' ' ' PHE . . . -61.48 -46.39 94.44 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.381 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -61.05 -38.5 86.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.655 0.264 . . . . 0.0 110.836 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.499 ' O ' HG23 ' A' ' 44' ' ' VAL . 81.9 mt -59.13 -55.18 25.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.398 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.6 -40.82 88.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.7 m -58.76 -49.63 76.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -59.96 -42.12 93.4 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.991 0.424 . . . . 0.0 110.751 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 40' ' ' ILE . 65.9 t -61.5 -45.35 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.063 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HA ' ' CG1' ' A' ' 49' ' ' VAL . 91.6 mt -68.69 -12.84 61.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.665 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -96.52 -56.2 2.68 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.87 178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -107.29 -23.14 12.35 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.681 ' HB3' ' HB3' ' B' ' 30' ' ' PRO . 45.8 mtt180 -99.87 -39.73 8.04 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -170.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 4.6 p -86.72 164.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.03 154.26 23.36 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.88 -49.6 74.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.648 0.261 . . . . 0.0 111.345 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -65.8 -32.87 74.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.275 0.56 . . . . 0.0 110.774 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.5 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 11.0 tp60 -85.35 -6.24 59.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.47 -176.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -67.5 -60.2 2.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.173 -167.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 48.7 tptt -62.54 -38.29 89.46 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 121.176 -0.209 . . . . 0.0 110.887 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tt -64.2 -50.94 66.09 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -64.23 -31.3 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -178.183 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.84 -46.06 69.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.793 176.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 23.9 mm-40 -63.15 -42.94 99.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.953 0.406 . . . . 0.0 110.07 176.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -54.4 -45.72 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.142 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.482 ' HB2' HD21 ' B' ' 34' ' ' LEU . 58.3 t80 -63.35 -48.39 78.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.099 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -62.55 -44.54 96.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.423 -178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -66.44 -38.5 87.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.128 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.48 -31.34 72.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.14 0.495 . . . . 0.0 110.31 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.0 tp -74.96 -37.38 61.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.649 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 29.6 mmt -65.42 -36.29 83.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 110.63 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.4 p -79.92 -25.32 40.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.19 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.1 m -83.47 -13.76 53.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.198 0.523 . . . . 0.0 110.202 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.594 HD21 ' HG2' ' B' ' 54' ' ' ARG . 6.4 tt -71.71 97.52 1.77 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 173.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -97.33 84.07 3.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.627 0.727 . . . . 0.0 112.295 -170.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 4.7 p -88.43 162.03 40.87 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.794 166.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.38 104.94 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.467 2.112 . . . . 0.0 111.682 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 71' ' ' THR . 64.4 mttp -103.24 106.68 17.25 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.188 0.518 . . . . 0.0 111.081 -177.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.98 88.59 0.08 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.225 -1.352 . . . . 0.0 112.495 170.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -75.82 118.83 19.04 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.49 ' H ' HD12 ' A' ' 76' ' ' LEU . 5.3 mp -68.08 132.5 47.36 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.085 -177.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.22 165.06 28.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -132.77 44.86 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.008 0.432 . . . . 0.0 110.139 -175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -133.51 -17.72 2.26 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.298 -0.251 . . . . 0.0 111.676 -176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 43.88 45.32 6.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 122.273 1.035 . . . . 0.0 109.867 -171.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -81.69 149.97 28.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.189 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -107.08 151.61 25.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.188 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.6 t60 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.144 -0.932 . . . . 0.0 109.167 179.158 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.421 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 24.8 mmt . . . . . 0 N--CA 1.482 1.165 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 2.1 Cg_endo -83.06 45.27 1.84 Allowed 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.405 2.736 . . . . 0.0 113.135 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.5 pt -74.06 -21.95 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.557 0.694 . . . . 0.0 109.971 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 5.7 m -117.48 152.11 35.73 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 68.1 m -48.34 133.17 16.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.862 0.363 . . . . 0.0 111.005 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.822 ' H ' ' HD2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -77.51 86.14 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.841 0.829 . . . . 0.0 111.262 -174.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 51.7 m-85 -85.67 162.45 18.78 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.355 -0.838 . . . . 0.0 109.027 172.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.511 ' HB ' ' CB ' ' B' ' 11' ' ' GLN . 11.2 m -57.87 122.47 13.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 175.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -60.73 -48.09 83.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.754 -175.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 42.2 tt0 -63.41 -33.06 74.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.421 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.511 ' CB ' ' HB ' ' B' ' 8' ' ' THR . 7.6 tt0 -62.8 -45.83 90.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.196 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.29 -45.59 85.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.286 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -57.87 -45.21 86.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.827 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 47.4 mmtm -66.13 -39.69 90.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 -177.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.473 ' O ' HG23 ' B' ' 19' ' ' VAL . 79.1 mt -62.86 -46.55 96.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.786 0.327 . . . . 0.0 110.148 176.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.407 HD23 HG23 ' A' ' 36' ' ' ILE . 82.6 mt -57.63 -41.52 81.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.35 95.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.286 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.446 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.2 mt-10 -68.5 -36.79 79.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.182 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 15' ' ' ILE . 82.1 t -63.76 -45.9 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.887 0.375 . . . . 0.0 110.283 176.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.407 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -63.15 -32.12 73.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.754 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.29 -40.63 96.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.089 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 18' ' ' GLU . 95.0 t -65.66 -36.22 77.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.009 0.433 . . . . 0.0 110.433 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 81.2 mt -62.24 -48.03 81.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.113 176.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.55 -39.67 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.241 175.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.78 -22.06 45.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.776 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -124.07 13.25 9.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.53 45.77 27.97 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.507 0.504 . . . . 0.0 111.777 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.05 127.24 31.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.885 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.496 ' HB2' ' HD2' ' B' ' 30' ' ' PRO . 81.2 p -69.6 164.38 50.77 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.304 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.681 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 9.8 Cg_endo -53.8 -47.81 25.18 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.556 2.171 . . . . 0.0 111.907 176.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.97 -50.25 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.415 ' O ' HG13 ' B' ' 36' ' ' ILE . 56.8 tp -59.04 -45.93 89.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.176 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 57.4 m -56.36 -52.8 63.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.493 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.482 HD21 ' HB2' ' A' ' 61' ' ' PHE . 6.6 tt -67.76 -35.04 77.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.523 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 31.9 ttp -68.63 -32.82 72.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.914 0.388 . . . . 0.0 110.602 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.457 ' O ' HG13 ' B' ' 40' ' ' ILE . 33.5 mt -62.51 -43.77 98.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.244 174.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.81 -38.96 79.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.126 0.488 . . . . 0.0 110.227 175.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.407 ' CA ' ' HE1' ' A' ' 61' ' ' PHE . . . -61.19 -46.51 94.34 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.035 175.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -58.06 -39.75 79.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.606 0.241 . . . . 0.0 110.865 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.596 ' O ' HG23 ' B' ' 44' ' ' VAL . 64.5 mt -58.34 -58.22 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.636 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -58.81 -36.95 75.34 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 85.7 m -59.61 -48.27 82.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -63.36 -35.81 81.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.626 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.664 ' HA ' ' HB3' ' B' ' 48' ' ' ARG . 47.2 t -60.25 -52.56 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.026 0.441 . . . . 0.0 110.044 175.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' B' ' 54' ' ' ARG . 82.7 mt -69.54 -13.1 62.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.797 -176.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -99.73 -37.98 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -145.57 31.05 1.08 Allowed 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 118.68 0.673 . . . . 0.0 110.597 -166.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.664 ' HB3' ' HA ' ' B' ' 44' ' ' VAL . 19.9 ttm180 -155.61 -46.47 0.08 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 119.873 -0.731 . . . . 0.0 112.498 -169.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.501 HG21 HG21 ' B' ' 57' ' ' ILE . 2.6 p -86.02 164.44 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.761 0.315 . . . . 0.0 111.01 -177.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.77 139.5 38.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.521 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.57 74.99 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 122.533 0.333 . . . . 0.0 111.533 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.8 m -69.11 -31.89 70.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.139 0.495 . . . . 0.0 110.968 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.442 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.7 tp-100 -83.66 -16.28 45.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.019 -178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.594 ' HG2' HD21 ' A' ' 69' ' ' LEU . 10.9 ttp180 -57.53 -51.96 67.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.271 -0.877 . . . . 0.0 113.018 -167.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -75.05 -32.39 61.52 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.442 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -69.68 -50.95 38.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.501 HG21 HG21 ' B' ' 49' ' ' VAL . 14.7 tt -66.47 -29.43 46.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.49 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.01 -41.27 71.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.823 0.344 . . . . 0.0 110.452 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.57 -42.45 91.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.866 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -58.6 -42.81 88.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.834 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.429 ' HE1' ' CA ' ' A' ' 38' ' ' GLY . 77.7 t80 -60.95 -54.92 39.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.992 176.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -58.47 -43.58 88.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.273 -178.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -42.7 98.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.75 91.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.511 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 22.6 tp -65.99 -36.6 83.74 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.855 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 30.7 mmt -68.16 -36.91 80.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.889 0.376 . . . . 0.0 110.611 178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.9 p -82.81 -7.53 59.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.066 -179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 24.6 m -103.39 -2.05 27.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.362 0.601 . . . . 0.0 110.083 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tt -77.16 99.19 5.33 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -113.77 170.89 7.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.819 0.819 . . . . 0.0 112.616 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 1.8 p -149.95 167.26 13.37 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 114.083 -1.417 . . . . 0.0 108.516 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.75 45.04 0.43 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.781 2.321 . . . . 0.0 112.253 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -104.64 4.49 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.503 -174.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 9.2 t -68.49 129.65 40.54 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.355 0.598 . . . . 0.0 110.74 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -134.27 113.21 11.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.395 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt 56.54 79.05 0.19 Allowed 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.753 0.658 . . . . 0.0 111.734 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.13 -175.09 2.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.082 177.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -77.36 -54.81 6.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.535 0.207 . . . . 0.0 111.221 -174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -154.5 144.04 21.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.655 0.264 . . . . 0.0 110.821 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -89.3 43.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.064 0.459 . . . . 0.0 111.379 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -92.12 25.76 2.76 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -123.51 146.19 48.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.937 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.242 176.01 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 27.2 ttt . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.5 Cg_exo -74.22 168.1 25.59 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.975 2.45 . . . . 0.0 111.65 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 tp -102.1 110.87 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.163 0.506 . . . . 0.0 110.328 177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.5 m 69.28 75.26 0.24 Allowed 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.769 0.795 . . . . 0.0 110.099 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -64.57 137.04 57.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.581 -1.191 . . . . 0.0 111.236 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 12.5 mptt -83.34 86.32 7.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.6 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -65.45 178.25 0.99 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.773 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.503 ' HB ' ' HG3' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -57.06 127.27 31.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.052 178.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.76 -46.59 77.84 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.83 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' OE1' HG22 ' A' ' 8' ' ' THR . 1.5 pm0 -58.47 -34.07 70.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.408 -178.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.503 ' HG3' ' HB ' ' A' ' 8' ' ' THR . 24.1 mt-30 -66.58 -51.51 55.6 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.69 -53.35 50.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.152 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.37 -50.46 65.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.996 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 47.8 mttm -79.39 -24.08 42.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.611 -169.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 19' ' ' VAL . 79.7 mt -72.05 -42.16 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 172.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.572 HD23 HG23 ' B' ' 36' ' ' ILE . 80.0 mt -56.41 -43.85 79.75 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.121 173.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.51 -44.34 84.97 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.341 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 47.2 mt-10 -69.18 -43.23 74.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.075 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 94.2 t -59.35 -48.23 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.458 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.45 -32.11 73.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.25 -40.94 90.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.19 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.4 t -60.54 -42.02 89.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.135 0.493 . . . . 0.0 109.986 177.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 70.4 mt -60.74 -54.1 49.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.29 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.44 -29.34 70.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.84 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.13 -41.08 86.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.089 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -98.58 13.2 32.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.28 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 62.41 37.16 13.81 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.074 0.464 . . . . 0.0 111.308 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.51 116.72 8.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.112 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.501 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 15.4 m -68.77 161.63 69.89 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.72 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.853 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 6.1 Cg_endo -49.5 -39.26 45.29 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.306 2.67 . . . . 0.0 112.706 -179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.488 ' CD ' ' HZ1' ' B' ' 6' ' ' LYS . 41.0 mt-10 -60.24 -50.92 71.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.263 177.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 36' ' ' ILE . 25.0 tp -63.44 -29.31 70.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.898 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.7 m -59.25 -56.76 18.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.154 0.502 . . . . 0.0 110.795 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.0 tt -71.53 -27.79 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.494 ' HB3' ' HA ' ' A' ' 32' ' ' LEU . 25.9 ttt -60.55 -44.47 96.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.058 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 32' ' ' LEU . 30.1 mm -59.52 -45.13 94.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.328 175.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.75 -41.79 78.16 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.557 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.62 -38.59 96.66 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.175 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -66.46 -34.66 78.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.662 0.268 . . . . 0.0 110.418 177.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 36' ' ' ILE . 47.1 mm -61.99 -53.85 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.194 177.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -57.11 -43.31 82.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.034 178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.9 m -63.04 -44.58 95.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -59.53 -41.05 89.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.193 0.521 . . . . 0.0 110.07 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.775 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 98.9 t -61.82 -46.79 95.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.007 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.509 ' HA ' HG11 ' A' ' 49' ' ' VAL . 95.9 mt -61.15 -26.32 67.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.074 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -73.41 -61.47 1.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -120.17 -42.61 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -171.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.775 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 13.7 mtt85 -79.87 33.0 0.26 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG11 ' HA ' ' A' ' 45' ' ' LEU . 4.9 p -153.84 168.64 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.481 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.3 150.3 20.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.513 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.06 -59.4 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.7 m -70.97 -17.21 62.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 -177.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.722 ' HG3' HG12 ' A' ' 57' ' ' ILE . 13.6 tp60 -85.42 -21.46 28.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.57 -176.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 16.7 mtm-85 -53.99 -43.01 69.65 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 -174.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.472 ' HD3' ' HA ' ' A' ' 55' ' ' LYS . 30.0 mmtp -64.37 -42.16 96.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.603 0.239 . . . . 0.0 111.396 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -72.19 -45.69 59.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.787 0.327 . . . . 0.0 110.156 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.722 HG12 ' HG3' ' A' ' 53' ' ' GLN . 17.1 mm -56.14 -50.71 69.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.748 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.13 83.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.664 0.269 . . . . 0.0 111.514 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -67.36 -46.77 72.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.353 -177.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -65.17 -36.4 84.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.818 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -61.29 -49.94 75.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.395 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.497 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -62.99 -43.98 97.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.028 -179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -66.4 -42.82 87.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.747 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.04 -33.74 76.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.574 178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.7 tp -64.32 -39.78 94.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.92 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.497 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 25.1 mmt -69.96 -33.45 72.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.491 176.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.3 t -71.06 -33.02 69.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.411 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 t -94.95 6.41 49.14 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.148 0.499 . . . . 0.0 110.306 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.624 HD13 HD13 ' B' ' 45' ' ' LEU . 64.3 tp -74.52 108.2 7.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.366 177.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -79.31 103.57 9.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.299 0.571 . . . . 0.0 109.95 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 29.0 p -88.83 135.68 31.74 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.507 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HG2' ' HB1' ' B' ' 51' ' ' ALA . 35.2 Cg_exo -60.97 -52.89 3.02 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.487 2.125 . . . . 0.0 111.339 178.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -171.85 171.84 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.87 138.41 50.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.747 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -81.53 133.73 35.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.002 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.6 tt -70.47 108.55 4.34 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.662 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.472 ' H ' ' HG2' ' A' ' 77' ' ' GLU . 6.4 pt-20 -70.98 96.91 1.35 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.485 0.66 . . . . 0.0 110.33 177.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -68.72 -21.0 64.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -136.81 104.76 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -71.0 124.29 24.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.275 0.559 . . . . 0.0 111.368 -175.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -154.98 104.1 2.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.524 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -88.08 140.67 29.25 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.9 p80 . . . . . 0 C--O 1.247 0.944 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 174.897 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.632 0.253 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -86.26 102.24 0.64 Allowed 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.998 2.465 . . . . 0.0 111.912 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 pt -64.75 -27.41 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 111.146 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -69.2 -27.89 65.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.874 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.4 t -102.41 76.58 1.56 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.378 0.609 . . . . 0.0 110.617 -176.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.488 ' HZ1' ' CD ' ' A' ' 31' ' ' GLU . 35.6 mtmm -98.15 22.34 9.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.379 174.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 4.3 m-85 -118.41 175.57 5.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.91 -177.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.51 ' OG1' ' HB2' ' B' ' 11' ' ' GLN . 82.5 p -83.57 153.71 24.19 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.731 -0.387 . . . . 0.0 109.971 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -62.27 -34.68 77.02 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.664 0.268 . . . . 0.0 110.684 -177.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.679 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 0.5 OUTLIER -72.42 -36.95 68.72 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.609 179.335 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.51 ' HB2' ' OG1' ' B' ' 8' ' ' THR . 51.3 tt0 -56.84 -49.9 74.04 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.187 0.517 . . . . 0.0 110.855 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.37 -41.66 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.122 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.62 -41.35 90.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.992 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.679 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 32.3 mmtp -63.5 -50.65 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 72.9 mt -60.84 -44.49 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.855 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.54 -43.43 79.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.191 176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.43 98.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.411 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.0 mt-10 -64.05 -48.18 77.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.782 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 93.9 t -60.14 -45.42 95.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.557 178.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.77 86.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.854 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -61.53 -41.56 97.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.514 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.411 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.4 t -62.81 -44.94 99.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.968 0.413 . . . . 0.0 110.119 177.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 76.0 mt -62.79 -50.19 72.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.71 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -39.59 94.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.591 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.26 -41.57 99.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 110.767 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -83.61 -2.32 55.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.398 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.01 46.79 10.47 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.66 0.6 . . . . 0.0 110.695 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 118.96 9.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.26 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 33.8 p -69.61 161.39 74.55 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.236 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -51.06 -44.25 43.45 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.962 2.441 . . . . 0.0 112.329 177.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.47 -54.84 41.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.418 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.408 ' O ' HG13 ' B' ' 36' ' ' ILE . 53.1 tp -59.09 -44.39 91.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.649 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 92.5 m -55.5 -51.99 65.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.66 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.13 -32.72 61.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.71 -175.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttp -64.03 -34.6 78.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.998 0.428 . . . . 0.0 109.923 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.572 HG23 HD23 ' A' ' 16' ' ' LEU . 54.6 mt -62.32 -46.8 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.331 174.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.37 86.25 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.13 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.43 96.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.251 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -67.17 -40.54 86.62 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 36' ' ' ILE . 87.8 mt -57.86 -52.62 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.487 176.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.54 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.04 -48.08 82.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.147 -178.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 14.8 p -66.19 -34.98 79.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.723 0.297 . . . . 0.0 111.405 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -66.71 -37.79 85.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.315 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.573 ' HA ' ' O ' ' B' ' 47' ' ' GLN . 98.8 t -70.38 -36.93 68.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 110.192 174.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.624 HD13 HD13 ' A' ' 69' ' ' LEU . 95.1 mt -69.4 -11.12 60.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.23 0.538 . . . . 0.0 110.652 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.83 -48.46 5.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.101 171.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.573 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 47.8 mt-30 -132.31 137.64 47.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.776 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.853 ' HB3' ' HB3' ' A' ' 30' ' ' PRO . 50.9 mtt180 91.62 14.1 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.931 1.292 . . . . 0.0 111.839 175.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.499 HG11 ' HA ' ' B' ' 45' ' ' LEU . 1.3 p -139.38 147.15 24.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.417 176.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.6 140.11 51.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.48 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.485 ' HB1' ' HG2' ' A' ' 72' ' ' PRO . . . -61.98 -37.99 86.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.184 176.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.2 m -68.48 -33.12 73.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.233 0.54 . . . . 0.0 110.298 177.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.631 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.3 tp-100 -87.69 -3.51 58.96 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.37 -177.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.594 ' HG3' HD11 ' A' ' 69' ' ' LEU . 16.7 tpp85 -53.73 -65.59 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -170.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 10.2 tmtt? -75.86 -26.79 57.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.183 0.516 . . . . 0.0 109.924 -175.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.527 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 2.9 tt -70.95 -47.28 59.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.828 -177.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.631 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.0 tt -69.21 -33.13 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.435 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.82 95.9 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.186 0.517 . . . . 0.0 109.987 175.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -61.84 -47.13 86.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.079 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.527 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 29.1 mtpp -60.77 -42.14 96.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.786 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -59.34 -44.87 92.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.055 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.79 -46.01 90.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.94 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -62.11 -39.96 94.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 110.989 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.74 91.07 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.878 0.371 . . . . 0.0 110.722 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 tp -67.97 -33.96 75.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.412 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -23.98 62.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.567 176.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 32.3 t -80.05 -32.37 39.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.769 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 27.4 p -82.61 -25.92 32.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.888 0.375 . . . . 0.0 110.344 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 51.5 tp -60.34 104.94 0.37 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.55 174.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -75.6 105.64 6.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.526 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' B' ' 72' ' ' PRO . 6.0 t -99.54 133.11 22.12 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.417 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 71' ' ' THR . 11.3 Cg_exo -71.85 158.8 52.17 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.212 1.941 . . . . 0.0 110.713 172.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 64.21 -157.08 0.31 Allowed 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.55 0.531 . . . . 0.0 110.36 178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.1 p -74.6 -70.15 0.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.993 0.425 . . . . 0.0 111.251 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -152.32 -40.65 0.11 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 mp -90.82 108.76 20.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.807 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' B' ' 77' ' ' GLU . 1.4 pm0 -75.98 161.69 28.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.082 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.415 ' HB3' ' O ' ' B' ' 77' ' ' GLU . 83.2 t60 75.93 -36.68 0.29 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.198 0.599 . . . . 0.0 111.656 178.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 12.0 t60 61.51 95.99 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.529 0.518 . . . . 0.0 111.168 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -166.05 103.01 0.65 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.661 -0.415 . . . . 0.0 111.259 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -170.33 134.67 1.19 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -84.58 -63.04 1.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.921 0.391 . . . . 0.0 110.456 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.523 -0.751 . . . . 0.0 109.798 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.5 101.0 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.488 2.125 . . . . 0.0 111.578 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.43 ' H ' HG13 ' A' ' 3' ' ' ILE . 1.3 pp -80.74 70.59 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.491 0.662 . . . . 0.0 111.943 -177.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.419 HG21 ' HG3' ' B' ' 35' ' ' MET . 5.3 m -92.24 137.72 32.13 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.805 177.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -62.94 132.01 50.62 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -81.76 -28.98 33.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -176.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' HB3' ' H ' ' A' ' 8' ' ' THR . 64.0 m-85 57.3 -156.6 0.3 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.33 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.411 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 5.7 m -85.41 125.98 33.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.15 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.38 -55.74 22.43 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.914 -173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 2.0 pm0 -59.41 -36.68 76.31 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.865 -176.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -57.94 -50.59 72.83 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG22 HD11 ' B' ' 32' ' ' LEU . 61.4 t -63.84 -52.18 60.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.602 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.41 -41.88 97.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.074 -175.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 68.2 mmtt -70.47 -40.57 73.59 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.127 -176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 19' ' ' VAL . 77.1 mt -60.21 -44.96 96.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.158 177.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.79 -47.22 83.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.952 177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.79 -38.78 89.33 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.583 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.6 mm-40 -66.41 -53.92 30.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.659 178.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.8 t -56.48 -49.76 75.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.344 -177.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.4 84.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.538 -178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.18 -40.45 94.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.697 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 18' ' ' GLU . 95.5 t -62.28 -42.98 97.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.076 0.465 . . . . 0.0 110.362 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 74.0 mt -62.72 -51.61 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.473 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -65.08 -33.32 75.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.543 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -65.06 -38.56 91.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.868 0.366 . . . . 0.0 110.796 176.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -84.02 5.8 24.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.409 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.3 38.43 19.74 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.242 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.41 138.32 55.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.815 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -84.84 161.09 54.23 Favored Pre-proline 0 C--N 1.318 -0.792 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -50.53 -34.61 43.07 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.767 2.311 . . . . 0.0 112.731 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -61.53 -44.41 97.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.386 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' O ' HG12 ' A' ' 36' ' ' ILE . 44.5 tp -71.12 -38.67 72.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.413 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.5 m -56.39 -50.5 71.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.316 0.579 . . . . 0.0 110.775 177.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tt -74.21 -26.86 60.5 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.07 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.1 ttm -63.94 -39.91 95.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.05 0.452 . . . . 0.0 110.149 174.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 32' ' ' LEU . 36.1 mm -61.93 -46.11 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.841 176.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.92 -40.91 81.57 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.785 176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.61 -46.98 93.16 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.267 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -57.83 -41.73 82.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.557 0.218 . . . . 0.0 110.646 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.547 ' O ' HG23 ' A' ' 44' ' ' VAL . 75.8 mt -56.53 -60.5 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.432 177.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.59 91.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.43 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 85.9 m -60.6 -46.62 89.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -72.2 -30.81 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.706 0.289 . . . . 0.0 110.779 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.577 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 70.8 t -62.68 -51.36 73.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 172.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.491 HD13 HD13 ' B' ' 69' ' ' LEU . 82.0 mt -68.74 -11.73 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.189 0.519 . . . . 0.0 110.838 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' A' ' 42' ' ' THR . 1.9 t-20 -90.39 -48.25 7.23 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.487 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -130.63 -49.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.624 -174.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.577 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 20.0 mtp180 -86.89 40.15 0.89 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -167.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG21 HG21 ' A' ' 57' ' ' ILE . 4.7 p -151.0 151.35 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 175.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -70.8 146.11 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.271 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.2 -42.73 81.81 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.157 0.286 . . . . 0.0 111.266 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 m -62.73 -39.64 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.287 0.565 . . . . 0.0 110.588 176.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 7.9 tp60 -82.97 -10.19 58.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.088 -173.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.473 ' HG2' HD11 ' B' ' 69' ' ' LEU . 18.9 ttm180 -60.09 -58.14 9.81 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.786 -172.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -34.93 74.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.118 0.485 . . . . 0.0 110.35 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.5 -48.78 63.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.675 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.524 HG21 HG21 ' A' ' 49' ' ' VAL . 12.4 tt -72.06 -27.8 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.672 -175.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -42.55 80.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.225 0.536 . . . . 0.0 110.097 174.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -65.19 -43.74 90.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.769 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -56.39 -52.05 66.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.887 -1.052 . . . . 0.0 110.633 176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.521 ' HB2' HD21 ' B' ' 34' ' ' LEU . 65.9 t80 -52.65 -53.92 40.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.928 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.92 73.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.508 -175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.448 HE21 ' HB3' ' A' ' 63' ' ' GLN . 12.9 mt-30 -63.03 -40.56 98.1 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.461 -0.495 . . . . 0.0 110.947 -178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.47 98.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.632 0.253 . . . . 0.0 110.329 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.8 tp -60.22 -42.12 94.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.807 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -14.35 60.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.237 178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.1 m -87.71 -36.36 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.773 0.321 . . . . 0.0 110.553 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.3 p -86.96 0.83 54.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.229 0.538 . . . . 0.0 110.747 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.668 HD11 ' HG2' ' B' ' 54' ' ' ARG . 18.3 tp -74.61 118.16 17.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.247 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.14 109.18 13.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.333 0.587 . . . . 0.0 110.594 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 7.8 p -119.95 132.4 24.08 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.631 179.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 71' ' ' THR . 24.0 Cg_exo -65.41 -24.13 57.55 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.762 2.308 . . . . 0.0 111.67 176.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 71' ' ' THR . 47.7 mttm 66.78 -179.06 0.21 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.205 176.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.4 p -87.15 133.04 33.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.803 0.335 . . . . 0.0 111.477 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 76' ' ' LEU . 30.9 m170 -85.53 146.41 26.93 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 9.6 mp 67.42 96.15 0.06 Allowed 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.935 0.772 . . . . 0.0 109.906 -174.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 72.77 155.47 0.16 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.866 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -85.69 6.76 26.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.351 -176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.76 82.81 1.09 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.749 0.785 . . . . 0.0 109.361 172.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -81.91 38.16 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.789 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -136.94 167.4 21.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.376 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -80.77 79.23 7.45 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.052 -175.489 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.47 108.38 2.51 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.724 2.283 . . . . 0.0 112.486 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.1 tt -79.47 -38.33 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.031 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.604 HG22 ' H ' ' B' ' 5' ' ' SER . 0.2 OUTLIER -75.29 -167.19 0.6 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.985 -178.018 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.604 ' H ' HG22 ' B' ' 4' ' ' THR . 12.9 m -53.07 135.26 37.63 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.905 0.383 . . . . 0.0 110.985 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.485 ' N ' ' HD2' ' B' ' 6' ' ' LYS . 12.7 mptt -83.91 85.42 7.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.248 0.547 . . . . 0.0 110.992 -175.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' B' ' 5' ' ' SER . 76.8 m-85 -88.63 159.83 17.68 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.43 173.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 90.0 m -59.68 131.32 50.55 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -56.59 -39.87 74.27 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.943 -176.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -53.33 -47.42 69.34 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.22 175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -57.01 -52.06 66.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.669 -177.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -58.59 -55.06 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.298 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.74 -43.97 97.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.626 -176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -77.16 -27.0 53.63 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 121.087 -0.245 . . . . 0.0 111.606 -174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.406 ' O ' HG23 ' B' ' 19' ' ' VAL . 70.5 mt -69.97 -41.39 79.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 171.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.28 -37.69 75.5 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.322 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.58 -44.93 96.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.05 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HG23 ' B' ' 22' ' ' VAL . 42.9 mt-10 -63.99 -41.18 97.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.446 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.491 HG13 HG22 ' A' ' 19' ' ' VAL . 96.4 t -64.48 -42.42 95.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.751 177.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.51 -37.55 78.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.131 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -67.87 -34.97 77.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.642 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 18' ' ' GLU . 64.2 t -62.83 -40.39 88.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.083 0.468 . . . . 0.0 109.791 174.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 71.0 mt -66.21 -40.98 90.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.362 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -67.68 -41.9 82.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.244 -178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -72.93 3.11 5.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.976 0.417 . . . . 0.0 111.185 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -131.32 5.2 4.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.18 172.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 45.18 51.91 8.87 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 123.99 0.806 . . . . 0.0 112.122 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.532 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -57.61 117.56 4.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.216 -178.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -70.27 162.06 72.11 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.229 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.36 -51.02 11.91 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.042 2.495 . . . . 0.0 113.958 -175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -64.04 -37.87 88.99 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' B' ' 28' ' ' ALA . 52.5 tp -64.47 -45.43 87.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.197 176.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 98.5 m -54.62 -52.73 61.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.377 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 61' ' ' PHE . 7.3 tt -73.71 -32.27 63.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.843 -175.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.419 ' HG3' HG21 ' A' ' 4' ' ' THR . 1.3 ttm -62.18 -42.02 98.88 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 175.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.626 ' O ' HG12 ' B' ' 40' ' ' ILE . 36.8 mt -60.45 -44.36 96.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.593 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.87 88.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.944 0.402 . . . . 0.0 110.945 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.44 -37.87 94.26 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.109 -0.567 . . . . 0.0 111.884 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -65.26 -41.42 94.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.626 HG12 ' O ' ' B' ' 36' ' ' ILE . 49.6 mm -53.69 -57.58 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.143 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.15 175.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.545 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.09 -49.8 74.75 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.67 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 91.4 m -53.72 -55.57 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.849 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -68.56 -38.24 80.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.859 0.361 . . . . 0.0 110.774 -173.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 60.3 t -67.12 -42.64 88.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.976 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 80.9 mt -65.25 -42.49 93.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.85 0.357 . . . . 0.0 111.424 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -80.15 -19.01 48.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -174.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -115.0 -60.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.0 mtp85 -86.39 -34.49 20.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -164.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' B' ' 45' ' ' LEU . 1.2 p -87.54 163.84 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.687 -176.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.06 134.95 44.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.89 67.13 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.613 0.244 . . . . 0.0 111.299 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.4 m -62.99 -35.35 79.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.193 0.52 . . . . 0.0 110.572 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.519 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 6.0 tp-100 -83.93 -22.94 31.34 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.179 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.668 ' HG2' HD11 ' A' ' 69' ' ' LEU . 39.3 ttm180 -48.31 -56.34 8.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.164 -0.926 . . . . 0.0 112.972 -167.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' B' ' 55' ' ' LYS . 12.5 tptm -74.55 -35.35 63.09 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.092 -176.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.54 -49.38 66.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.519 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 15.8 tt -65.24 -30.42 50.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.038 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.13 -44.61 75.71 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.962 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.33 -46.56 88.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' B' ' 57' ' ' ILE . 27.7 mtpp -54.69 -47.3 73.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.369 0.604 . . . . 0.0 110.253 175.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.424 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 56.9 t80 -62.74 -51.5 66.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.306 -178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.578 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.5 -44.45 93.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 -178.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -51.77 68.01 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.24 -38.57 77.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 29.2 tp -65.76 -43.68 88.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.7 mmt -69.6 -29.9 67.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.878 0.37 . . . . 0.0 110.595 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 17.0 t -73.74 -26.54 60.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.984 0.421 . . . . 0.0 110.065 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 39.5 m -90.61 -7.9 51.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.585 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.491 HD13 HD13 ' A' ' 45' ' ' LEU . 61.0 tp -61.79 108.97 1.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.762 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -96.57 95.59 8.08 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.225 0.536 . . . . 0.0 111.163 -175.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 33.9 m -107.54 133.46 20.39 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.541 175.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -50.21 130.15 27.6 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.885 2.39 . . . . 0.0 112.205 177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -111.46 111.23 22.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.856 -174.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.446 ' HB ' ' OE1' ' B' ' 77' ' ' GLU . 40.2 p -69.19 147.11 51.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.012 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 179.23 -36.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.23 -174.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.811 HD23 ' H ' ' B' ' 76' ' ' LEU . 2.0 pt? -87.9 -16.73 33.1 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -170.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' B' ' 77' ' ' GLU . 0.9 OUTLIER -78.29 -14.58 59.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.116 0.484 . . . . 0.0 110.317 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -77.09 79.34 3.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.741 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.94 146.26 50.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.876 -176.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.82 131.14 32.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.512 175.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 13.7 t60 64.48 -75.2 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.001 -173.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -161.36 9.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.368 0.604 . . . . 0.0 109.41 177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.392 -176.452 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.518 ' HB3' HG12 ' A' ' 3' ' ' ILE . 68.3 mtt . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.745 0.307 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -86.41 34.48 0.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 123.017 2.478 . . . . 0.0 112.02 178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.756 HG13 ' H ' ' A' ' 4' ' ' THR . 7.1 pt -79.08 -88.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.343 -177.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.756 ' H ' HG13 ' A' ' 3' ' ' ILE . 18.4 m -86.19 129.28 34.9 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.132 0.491 . . . . 0.0 110.477 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 m -153.71 167.99 27.76 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -75.02 -15.43 60.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 56.95 -154.73 0.34 Allowed 'General case' 0 C--N 1.341 0.214 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.473 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 11' ' ' GLN . 15.3 t -91.09 137.15 32.59 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 170.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -56.21 -43.68 78.77 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -169.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -72.89 -12.92 61.15 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.503 ' O ' HD13 ' A' ' 15' ' ' ILE . 53.6 tt0 -71.0 -60.13 2.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 174.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.7 t -60.76 -44.05 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.578 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.11 -43.91 82.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.451 -177.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.57 -34.9 58.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.552 -174.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 HD13 ' O ' ' A' ' 11' ' ' GLN . 1.8 mp -63.98 -47.15 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.165 -0.614 . . . . 0.0 109.655 173.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.419 HD23 HG23 ' B' ' 36' ' ' ILE . 79.1 mt -59.53 -41.63 90.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.197 179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.65 73.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.387 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 22' ' ' VAL . 37.1 mt-10 -67.06 -39.15 86.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.824 -177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 72.8 t -65.03 -45.52 94.22 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 120.804 0.335 . . . . 0.0 110.998 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.52 -38.88 85.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 0.0 110.779 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 tt -63.72 -38.26 90.45 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.044 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 18' ' ' GLU . 98.0 t -59.73 -42.83 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 121.225 0.536 . . . . 0.0 110.189 176.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 HG23 ' A' ' 33' ' ' THR . 53.6 mt -61.38 -45.96 92.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.484 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.3 -37.25 74.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.887 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -62.71 -35.75 80.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.33 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 -95.83 2.45 53.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.907 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.63 48.04 23.39 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.577 0.548 . . . . 0.0 110.858 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.87 123.85 22.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.991 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 m -62.64 157.53 57.22 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.295 177.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.5 -45.88 37.84 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.659 2.24 . . . . 0.0 112.668 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.569 ' HB2' ' HA ' ' B' ' 4' ' ' THR . 8.0 pt-20 -62.91 -45.15 93.85 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.068 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.588 ' HB2' ' CE2' ' B' ' 7' ' ' TYR . 44.2 tp -60.23 -45.34 93.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.692 0.282 . . . . 0.0 110.348 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.493 HG23 HD13 ' A' ' 23' ' ' LEU . 93.9 m -56.78 -54.69 43.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.753 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.525 ' HB2' HG11 ' B' ' 44' ' ' VAL . 6.4 tt -69.95 -33.27 71.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.771 -175.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttp -64.72 -37.12 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.064 0.459 . . . . 0.0 110.36 175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.595 ' O ' HG12 ' A' ' 40' ' ' ILE . 36.4 mt -59.97 -45.83 94.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.589 175.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.28 78.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.031 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.99 -36.45 90.97 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.097 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -68.24 -33.13 73.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.595 HG12 ' O ' ' A' ' 36' ' ' ILE . 51.1 mm -59.56 -52.38 61.59 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.86 -42.95 80.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.782 176.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 32.7 m -62.13 -42.99 99.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -60.47 -41.98 95.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.978 0.418 . . . . 0.0 110.216 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.044 ' HA ' ' HB3' ' A' ' 48' ' ' ARG . 97.2 t -59.27 -52.85 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.931 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 38.6 mt -63.53 -14.69 53.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.546 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' HB3' ' HG3' ' A' ' 47' ' ' GLN . 3.1 m-80 -90.38 -57.63 2.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.402 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 44.7 mt-30 -132.41 7.53 4.21 Favored 'General case' 0 CA--C 1.514 -0.423 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.724 -168.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 1.044 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 11.9 ttt85 -133.77 23.15 3.94 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.708 -165.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.537 HG21 HG21 ' A' ' 57' ' ' ILE . 8.7 p -160.02 158.55 2.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.292 -178.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -75.83 141.55 42.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.498 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.71 -36.15 78.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.803 0.335 . . . . 0.0 110.847 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -66.29 -15.18 63.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.139 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -111.08 -4.88 14.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.698 -169.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.521 HH11 ' HB3' ' B' ' 72' ' ' PRO . 99.4 mtt180 -68.27 -35.75 78.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 -169.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -74.47 -46.84 37.01 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.331 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.8 -49.08 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.314 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.537 HG21 HG21 ' A' ' 49' ' ' VAL . 13.8 tt -70.38 -29.4 38.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.213 -173.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.73 70.85 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.956 0.408 . . . . 0.0 110.642 176.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 70.3 mt-10 -68.64 -40.44 80.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.792 178.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' A' ' 57' ' ' ILE . 28.4 ttpp -56.53 -39.57 73.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.303 177.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' HB2' HD21 ' B' ' 34' ' ' LEU . 88.5 t80 -60.26 -54.77 41.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.754 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -48.74 80.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.423 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 59' ' ' GLU . 16.8 mm100 -58.16 -41.62 84.19 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.046 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.28 82.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.864 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.6 tp -64.91 -42.82 94.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.86 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 66' ' ' MET . 0.1 OUTLIER -71.36 -24.65 62.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 179.364 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.3 m -73.96 -26.67 60.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.005 0.431 . . . . 0.0 110.39 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 p -101.14 10.15 41.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.23 0.538 . . . . 0.0 111.281 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.696 HD13 HD13 ' B' ' 45' ' ' LEU . 53.1 tp -84.77 14.94 4.22 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.0 -178.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 67.58 -69.38 0.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.73 -173.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.633 HG22 ' HG2' ' A' ' 73' ' ' LYS . 26.7 m 62.93 91.58 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.239 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.694 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.58 84.39 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.566 2.177 . . . . 0.0 112.664 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.736 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 11.0 mmpt? -105.34 120.54 41.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.217 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.6 p -77.74 153.67 32.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -56.12 -40.56 73.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.737 0.303 . . . . 0.0 110.927 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.07 95.43 4.49 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.346 0.593 . . . . 0.0 109.463 171.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -98.53 -101.15 0.21 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.028 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.8 m170 66.3 -43.19 0.4 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.094 0.558 . . . . 0.0 111.829 -176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -73.58 80.92 1.49 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 176.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.4 m80 -77.71 -23.33 49.5 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.026 -177.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -76.37 64.36 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.318 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 70.18 112.85 0.05 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.188 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 28.7 p80 . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.117 175.062 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.454 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 63.9 mtt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 8.6 Cg_exo -71.78 106.3 1.96 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.934 2.423 . . . . 0.0 113.087 -174.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 tt -67.9 141.55 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 168.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.569 ' HA ' ' HB2' ' A' ' 31' ' ' GLU . 23.2 m 69.93 90.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.806 0.812 . . . . 0.0 109.26 -172.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.7 p -85.19 160.35 19.92 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.743 -1.117 . . . . 0.0 113.298 -167.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -78.15 70.55 4.53 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.501 169.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.588 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 80.0 m-85 -48.7 159.58 0.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.581 172.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -48.94 120.12 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.501 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -52.68 -41.16 63.61 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.715 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -56.38 -39.82 73.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.441 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -66.85 -52.18 46.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.634 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.432 HG22 HD11 ' A' ' 32' ' ' LEU . 58.4 t -60.35 -45.97 95.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.491 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.84 -42.52 93.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -45.61 91.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.845 -176.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.439 ' O ' HG23 ' B' ' 19' ' ' VAL . 54.5 mt -64.72 -43.94 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.166 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.587 HD23 HG23 ' A' ' 36' ' ' ILE . 91.2 mt -56.69 -46.74 80.99 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -56.84 -46.36 81.77 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.97 -179.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.5 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.1 mt-10 -68.79 -41.53 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.121 -178.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 15' ' ' ILE . 70.7 t -60.23 -45.44 96.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.901 0.381 . . . . 0.0 110.518 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.12 -36.38 83.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.713 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 48.9 mt -67.66 -29.72 69.07 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.509 178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 18' ' ' GLU . 93.7 t -66.02 -35.44 75.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 CA-C-O 121.48 0.657 . . . . 0.0 109.584 175.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.471 HD13 HG23 ' B' ' 33' ' ' THR . 79.3 mt -71.52 -46.24 60.21 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.229 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -27.24 68.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 175.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' B' ' 22' ' ' VAL . 86.4 tttt -63.57 -41.54 98.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.319 178.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -102.77 10.79 38.3 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.453 -176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.33 47.8 13.41 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.345 0.593 . . . . 0.0 111.011 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.59 135.59 45.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.463 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.409 ' HB2' ' HD2' ' B' ' 30' ' ' PRO . 68.2 p -69.61 163.57 58.19 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.519 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.438 ' O ' ' HB ' ' B' ' 33' ' ' THR . 10.9 Cg_endo -56.08 -42.72 63.62 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.467 2.112 . . . . 0.0 111.605 174.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.599 ' OE2' ' HB ' ' A' ' 3' ' ' ILE . 5.2 mm-40 -62.84 -48.6 78.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.07 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.635 ' O ' HG12 ' B' ' 36' ' ' ILE . 55.0 tp -59.2 -43.43 92.25 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.471 HG23 HD13 ' B' ' 23' ' ' LEU . 54.4 m -51.71 -55.7 18.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.255 176.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 61' ' ' PHE . 8.2 tt -68.92 -33.96 74.6 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.804 -176.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 52.3 ttp -68.2 -34.01 75.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.417 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.635 HG12 ' O ' ' B' ' 32' ' ' LEU . 24.9 mm -61.92 -44.55 99.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 174.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.8 -41.71 78.24 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.414 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.0 -46.84 93.77 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.924 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.85 -36.03 80.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 111.065 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.519 ' O ' HG23 ' B' ' 44' ' ' VAL . 81.5 mt -60.27 -55.45 24.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 175.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.29 -39.52 79.52 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.562 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.4 m -55.53 -54.35 45.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -58.73 -42.49 88.86 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.028 0.442 . . . . 0.0 110.318 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.623 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 42.1 t -61.58 -41.49 90.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.98 176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.696 HD13 HD13 ' A' ' 69' ' ' LEU . 97.4 mt -76.85 -4.09 41.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.518 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -99.47 -61.97 1.3 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.924 0.392 . . . . 0.0 110.716 175.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -104.14 -39.66 6.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 112.243 -171.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.623 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 46.8 mtt180 -90.08 17.48 6.9 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -170.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.51 HG21 HG21 ' B' ' 57' ' ' ILE . 4.4 p -139.96 158.65 26.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.523 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 147.25 28.21 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.564 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.31 -41.25 84.05 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.572 0.225 . . . . 0.0 111.225 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 26.5 t -66.73 -23.34 66.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.792 178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.412 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.9 tp-100 -95.13 -19.32 20.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 -176.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' A' ' 69' ' ' LEU . 25.1 ttm-85 -53.3 -56.18 18.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.35 -169.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.474 ' HE2' ' HB2' ' B' ' 59' ' ' GLU . 11.3 tptm -67.33 -44.22 79.66 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.904 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.98 -51.39 67.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.391 -175.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.51 HG21 HG21 ' B' ' 49' ' ' VAL . 16.0 tt -67.82 -31.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.022 -176.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.14 -40.61 67.94 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.891 0.377 . . . . 0.0 110.703 177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.474 ' HB2' ' HE2' ' B' ' 55' ' ' LYS . 35.4 tt0 -63.7 -50.33 69.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.834 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -58.61 -39.42 80.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.133 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -59.4 -47.82 83.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.008 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.48 -48.75 80.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.443 . . . . 0.0 110.579 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -60.77 -39.11 87.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.442 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.29 -35.57 78.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.262 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 38.6 tp -61.28 -43.3 99.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.028 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -72.27 -21.47 61.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.519 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -81.41 -34.39 31.59 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 23.9 t -72.03 -31.84 66.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.875 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.514 HD13 HD13 ' A' ' 45' ' ' LEU . 6.1 tp -59.76 118.75 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.999 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -102.46 144.28 31.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 9.0 t -48.64 135.23 13.42 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.644 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.521 ' HB3' HH11 ' A' ' 54' ' ' ARG . 74.5 Cg_endo -74.15 35.7 0.39 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 123.493 2.795 . . . . 0.0 113.833 -174.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.42 -52.58 21.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 17.7 p 44.0 77.67 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.308 0.643 . . . . 0.0 112.498 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -117.17 111.11 19.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.603 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.8 mt 57.68 77.08 0.29 Allowed 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.851 0.719 . . . . 0.0 111.832 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.63 113.61 20.97 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -161.32 124.24 3.16 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.772 -175.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 35.9 m170 -62.4 137.37 58.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.012 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -90.95 -23.8 20.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -77.25 113.78 15.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.393 172.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -57.96 -62.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.373 0.421 . . . . 0.0 111.494 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 79.1 t60 . . . . . 0 C--O 1.244 0.769 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.607 -179.429 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.65 -29.94 42.81 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.714 2.276 . . . . 0.0 112.568 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.553 HD12 ' HD2' ' A' ' 60' ' ' LYS . 1.6 mm -77.95 115.05 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.669 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.842 HG23 ' HB3' ' B' ' 31' ' ' GLU . 96.9 m 74.11 -40.27 0.45 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 114.987 -1.006 . . . . 0.0 113.357 168.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.571 ' HA ' ' HE1' ' B' ' 35' ' ' MET . 37.2 t -87.32 99.91 12.32 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.36 0.6 . . . . 0.0 111.868 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -136.28 19.97 3.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.779 170.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.419 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 58.7 m-85 -92.58 -175.19 3.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.242 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 p -79.98 132.26 35.99 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.782 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -60.33 -37.84 81.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.068 0.461 . . . . 0.0 110.561 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.8 -47.0 87.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.768 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.427 ' O ' HG13 ' A' ' 15' ' ' ILE . 34.0 mt-30 -63.63 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.884 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.57 -50.39 80.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.8 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -69.08 -27.08 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.16 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -73.32 -43.92 59.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.517 0.199 . . . . 0.0 110.854 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 11' ' ' GLN . 76.1 mt -65.07 -44.62 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -57.31 -41.64 80.27 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.983 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -51.11 70.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 22' ' ' VAL . 44.7 mt-10 -63.94 -42.32 97.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.27 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 74.3 t -63.26 -49.76 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 110.982 178.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.58 -31.68 72.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.943 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -65.08 -44.27 89.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.41 178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 18' ' ' GLU . 88.2 t -60.94 -41.02 87.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.202 0.525 . . . . 0.0 110.025 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD13 HG23 ' A' ' 33' ' ' THR . 73.3 mt -63.21 -49.34 74.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.556 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.72 -44.03 97.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.662 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.41 -33.73 76.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.119 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -88.02 5.69 39.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.152 178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.91 37.77 21.41 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.607 0.567 . . . . 0.0 111.317 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.525 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -64.99 117.72 8.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.235 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.524 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 16.0 m -76.69 162.91 68.8 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.418 176.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 4.6 Cg_endo -46.16 -50.13 10.44 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.373 2.715 . . . . 0.0 113.259 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.545 ' HB2' ' OH ' ' B' ' 7' ' ' TYR . 4.3 mm-40 -54.93 -50.85 67.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 178.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' O ' HG12 ' A' ' 36' ' ' ILE . 46.0 tp -64.09 -39.8 94.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.707 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.526 HG23 HD13 ' A' ' 23' ' ' LEU . 35.0 m -59.78 -46.54 88.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.83 -178.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.432 HD22 HG12 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -70.44 -34.42 72.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.486 178.449 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -58.05 -43.38 86.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.931 176.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.566 HG12 ' O ' ' A' ' 32' ' ' LEU . 43.8 mm -58.28 -51.37 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.218 176.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.58 87.49 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.317 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -58.64 -44.04 95.87 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.692 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -63.53 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.889 -0.183 . . . . 0.0 110.892 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 36' ' ' ILE . 92.9 mt -56.67 -58.93 3.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.077 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 176.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.93 -43.06 86.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.152 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.5 m -58.07 -51.6 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.109 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -60.77 -40.81 93.92 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.041 0.448 . . . . 0.0 110.602 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 40' ' ' ILE . 86.6 t -62.14 -47.31 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.589 178.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.652 HD21 ' HB2' ' A' ' 58' ' ' ALA . 7.2 mp -71.05 -13.26 61.92 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.804 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.69 -47.12 10.09 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.805 0.336 . . . . 0.0 111.084 176.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -115.6 -44.67 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -172.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HB2' HG13 ' A' ' 44' ' ' VAL . 37.3 mmt180 -90.35 -8.21 51.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -164.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.521 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 1.4 p -110.74 162.29 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.484 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.96 139.43 42.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.581 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.59 -47.19 40.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.344 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 p -78.8 -20.92 48.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.63 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.71 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -78.46 -22.64 47.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.499 179.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.567 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 13.5 mtm180 -50.63 -54.31 23.84 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -173.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -63.69 -41.83 98.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.939 0.399 . . . . 0.0 110.434 -175.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 tt -71.34 -50.68 29.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.684 -176.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.529 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 9.4 tt -66.54 -33.29 62.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.529 0.204 . . . . 0.0 111.109 -174.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.652 ' HB2' HD21 ' A' ' 45' ' ' LEU . . . -68.11 -47.62 67.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.205 0.526 . . . . 0.0 110.561 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -66.62 -40.35 88.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.057 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.553 ' HD2' HD12 ' A' ' 3' ' ' ILE . 37.8 ttpt -56.75 -48.1 78.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.304 175.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.791 ' HE2' ' HE1' ' B' ' 61' ' ' PHE . 90.4 t80 -61.83 -46.88 87.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.167 -179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.6 99.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.112 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.73 -34.87 77.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.63 -32.41 73.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.04 0.448 . . . . 0.0 110.79 176.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.4 tp -73.84 -31.51 63.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.418 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 25.7 mmt -81.67 -20.88 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.372 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 p -88.08 -24.07 23.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.905 0.384 . . . . 0.0 110.629 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.2 p -92.71 5.35 51.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.269 0.556 . . . . 0.0 109.915 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.692 HD11 ' HG2' ' B' ' 54' ' ' ARG . 52.3 tp -75.82 97.87 4.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.551 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -79.99 101.48 8.68 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.319 0.58 . . . . 0.0 111.293 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.548 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 5.6 p -78.5 166.63 41.45 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.801 173.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 51.9 Cg_exo -54.91 102.69 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.565 2.176 . . . . 0.0 112.541 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 71' ' ' THR . 34.2 mmtp -98.26 92.25 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.728 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.2 p -79.22 -50.4 11.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.7 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -83.84 -31.88 25.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.4 mp -87.3 93.75 9.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.172 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -85.21 101.29 12.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.584 0.707 . . . . 0.0 110.712 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -86.81 54.88 3.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.941 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -85.05 71.7 10.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.909 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -94.98 111.53 23.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -86.71 108.36 18.64 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.783 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -112.35 -25.54 9.19 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 168.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.252 176.623 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -76.6 83.84 1.99 Allowed 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.388 2.059 . . . . 0.0 111.636 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.3 tt -84.05 -44.96 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.262 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.425 HG22 ' HB3' ' A' ' 31' ' ' GLU . 4.8 m -154.1 159.36 41.46 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -52.7 131.19 34.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.111 0.481 . . . . 0.0 111.178 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -81.23 89.19 6.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.276 0.56 . . . . 0.0 111.829 -174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.545 ' OH ' ' HB2' ' A' ' 31' ' ' GLU . 55.0 m-85 -79.4 -172.83 3.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.761 168.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 12' ' ' VAL . 0.7 OUTLIER -72.12 123.74 23.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.98 0.419 . . . . 0.0 110.849 175.602 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.3 -41.42 84.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.513 -176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 46.6 mt-10 -67.02 -40.34 87.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.491 ' O ' HG13 ' B' ' 15' ' ' ILE . 6.1 tp-100 -57.07 -46.44 82.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.017 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.415 HG22 ' CD1' ' A' ' 32' ' ' LEU . 59.1 t -57.7 -47.41 85.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.426 178.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.06 -38.44 91.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.332 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 74.8 mmtt -66.14 -46.24 78.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.689 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 11' ' ' GLN . 67.6 mt -60.06 -43.06 91.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.437 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.42 HD23 HG23 ' A' ' 36' ' ' ILE . 93.1 mt -56.44 -43.28 79.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 178.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.81 -46.0 90.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.156 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.429 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.5 mt-10 -66.54 -42.45 87.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.087 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.44 HG11 HD11 ' A' ' 40' ' ' ILE . 72.4 t -62.77 -46.08 97.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.91 0.386 . . . . 0.0 110.757 177.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.17 -32.93 74.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 tp -66.61 -37.66 85.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.951 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 18' ' ' GLU . 66.7 t -59.77 -42.3 88.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.33 0.586 . . . . 0.0 109.69 177.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.529 HD13 HG23 ' B' ' 33' ' ' THR . 48.7 mt -65.95 -41.87 90.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.161 177.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -63.68 -53.78 45.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.23 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -61.23 -27.22 68.28 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -95.06 2.56 55.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.294 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 53.26 47.43 24.34 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.492 0.495 . . . . 0.0 111.716 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.73 139.39 56.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.562 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -86.89 161.37 47.45 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.001 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.29 -51.32 9.69 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.306 2.671 . . . . 0.0 113.824 -177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.842 ' HB3' HG23 ' A' ' 4' ' ' THR . 29.7 mm-40 -57.86 -50.71 72.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 110.928 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.549 ' O ' HG12 ' B' ' 36' ' ' ILE . 42.9 tp -59.32 -34.52 72.43 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.758 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.529 HG23 HD13 ' B' ' 23' ' ' LEU . 56.0 m -61.36 -50.8 71.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.994 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mp -72.44 -26.14 61.72 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.983 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.571 ' HE1' ' HA ' ' A' ' 5' ' ' SER . 37.8 ttm -59.8 -42.58 93.73 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.549 HG12 ' O ' ' B' ' 32' ' ' LEU . 47.6 mm -61.22 -50.72 79.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.362 176.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 -49.37 77.33 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.405 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.21 -50.75 54.64 Favored Glycine 0 CA--C 1.517 0.215 0 C-N-CA 121.233 -0.508 . . . . 0.0 113.072 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.54 -35.21 73.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.856 0.328 . . . . 0.0 111.247 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 36' ' ' ILE . 65.0 mt -59.14 -53.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 175.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.609 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -60.34 -48.1 83.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.978 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 29.2 m -58.33 -42.04 85.92 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.556 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -64.06 -40.7 96.86 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.605 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' B' ' 47' ' ' GLN . 62.7 t -71.28 -34.17 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.821 0.343 . . . . 0.0 110.709 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.8 mt -61.85 -29.57 70.27 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.226 175.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.47 ' N ' HD22 ' B' ' 46' ' ' ASN . 0.9 OUTLIER -86.86 -46.19 10.16 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.292 0.567 . . . . 0.0 110.277 176.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.548 ' O ' ' HA ' ' B' ' 44' ' ' VAL . 45.3 mt-30 -124.51 126.79 46.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.508 -175.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.539 ' HB2' ' O ' ' B' ' 47' ' ' GLN . 58.0 mtm180 94.72 14.19 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.864 1.265 . . . . 0.0 112.088 175.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.53 HG21 HG21 ' B' ' 57' ' ' ILE . 1.4 p -140.48 153.69 21.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.317 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.37 147.25 38.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.18 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.12 75.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.726 0.298 . . . . 0.0 111.172 176.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.2 p -69.12 -42.84 75.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.0 110.707 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.837 ' HA ' HE21 ' B' ' 53' ' ' GLN . 0.0 OUTLIER -66.98 -26.86 67.02 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.601 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.692 ' HG2' HD11 ' A' ' 69' ' ' LEU . 33.0 ttm180 -49.06 -53.79 18.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.717 -172.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmpt? -69.45 -41.36 76.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.912 0.387 . . . . 0.0 110.401 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.58 -45.87 74.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.687 -175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.53 HG21 HG21 ' B' ' 49' ' ' VAL . 15.4 tt -70.17 -31.91 49.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.711 -176.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.67 -36.55 73.41 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 121.07 0.462 . . . . 0.0 110.232 175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -72.44 -39.86 67.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.113 177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -54.61 -47.62 73.18 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.159 172.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.791 ' HE1' ' HE2' ' A' ' 61' ' ' PHE . 52.7 t80 -54.78 -54.35 43.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.62 178.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -62.15 -46.26 89.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.416 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.59 -46.45 85.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.82 -0.173 . . . . 0.0 110.6 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.83 89.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.37 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.31 -42.21 98.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.867 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.55 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 17.7 mmt -76.71 -20.15 56.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.335 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 58.4 m -82.87 -23.83 33.49 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.595 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 13.7 p -94.32 -3.82 49.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.241 0.543 . . . . 0.0 110.188 175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.424 HD13 HD23 ' A' ' 45' ' ' LEU . 51.1 tp -75.18 112.49 11.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.886 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -82.34 114.1 20.58 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.441 0.638 . . . . 0.0 110.591 176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 11.3 m -97.86 134.61 22.1 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.727 176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -55.09 -30.78 72.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.983 2.456 . . . . 0.0 112.719 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.414 ' HB3' ' H ' ' B' ' 74' ' ' THR . 28.1 mtpp 60.05 -154.85 0.36 Allowed 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.278 177.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' B' ' 73' ' ' LYS . 4.5 p -82.01 21.54 0.87 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.957 -178.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -80.37 -8.37 59.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.097 0.475 . . . . 0.0 109.784 177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.436 HD12 ' O ' ' B' ' 76' ' ' LEU . 3.2 pp -63.21 142.78 58.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.2 176.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -97.69 127.79 43.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.036 -176.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -94.57 84.21 4.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.733 0.778 . . . . 0.0 109.599 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -102.39 -31.24 10.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.355 -174.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -84.01 108.84 17.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.6 0.714 . . . . 0.0 109.878 178.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -124.5 -21.81 4.8 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.923 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.97 -28.27 0.69 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.396 0.617 . . . . 0.0 109.702 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.095 -0.955 . . . . 0.0 108.901 172.606 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.96 -174.11 2.11 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.63 2.22 . . . . 0.0 112.246 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.425 HD11 ' HE3' ' A' ' 60' ' ' LYS . 45.2 pt -72.24 -24.12 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.16 0.505 . . . . 0.0 110.674 177.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.7 m -75.48 103.41 5.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.843 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 m -76.39 147.69 37.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.662 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HE3' ' OD1' ' A' ' 9' ' ' ASP . 40.2 tttp -88.74 -14.35 37.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.688 -177.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.532 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 92.7 m-85 61.48 -169.21 0.17 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.571 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.508 ' HB ' ' OE2' ' A' ' 10' ' ' GLU . 23.6 p -75.12 131.59 40.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.401 ' OD1' ' HE3' ' A' ' 6' ' ' LYS . 33.0 m-20 -58.68 -46.77 86.5 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -171.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' OE2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -57.64 -48.01 80.64 Favored 'General case' 0 C--O 1.224 -0.273 0 O-C-N 123.224 0.328 . . . . 0.0 110.472 -179.748 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 15' ' ' ILE . 8.4 tt0 -53.58 -55.08 28.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.166 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.04 -45.84 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.989 0.423 . . . . 0.0 111.104 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -69.13 -35.29 76.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.02 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 5.9 mptp? -71.03 -40.03 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 11' ' ' GLN . 82.1 mt -62.4 -41.32 91.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.71 -40.13 86.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.655 176.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.36 87.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 14' ' ' LYS . 48.2 mt-10 -64.81 -45.09 87.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.197 177.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' HD13 ' A' ' 23' ' ' LEU . 98.8 t -61.72 -45.07 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.578 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.25 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.036 0.446 . . . . 0.0 111.021 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -64.83 -34.96 79.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.104 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 18' ' ' GLU . 85.3 t -68.87 -39.37 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.297 0.57 . . . . 0.0 109.969 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 19' ' ' VAL . 3.9 mp -60.7 -49.0 79.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.134 176.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.07 -39.78 93.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.576 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -54.15 -42.14 69.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.837 -178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -105.32 7.5 33.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.533 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.67 47.37 10.64 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.135 0.493 . . . . 0.0 111.134 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.57 121.34 15.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.284 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.496 ' OG ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 t -77.04 152.59 82.38 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.817 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.496 ' HD2' ' OG ' ' A' ' 29' ' ' SER . 1.6 Cg_endo -45.82 -40.71 19.79 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.93 3.087 . . . . 0.0 114.128 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 31' ' ' GLU . 1.7 mp0 -60.22 -45.64 92.51 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.301 0.572 . . . . 0.0 109.702 179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.8 -37.42 87.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.112 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.4 m -56.29 -52.81 63.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.254 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 tt -75.4 -23.82 57.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.964 0.411 . . . . 0.0 110.248 -177.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.8 ttm -62.72 -48.06 80.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.261 0.553 . . . . 0.0 109.741 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.5 mt -60.25 -40.87 85.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.096 179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.55 79.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.951 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.43 -37.56 79.31 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.123 178.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -62.04 -42.87 99.64 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 176.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.495 ' O ' HG23 ' A' ' 44' ' ' VAL . 85.4 mt -58.42 -56.06 18.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.398 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.665 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -54.04 -52.83 59.61 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.424 -177.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.2 m -59.88 -45.72 91.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.418 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -64.1 -36.67 84.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.808 0.337 . . . . 0.0 110.807 -178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 40' ' ' ILE . 83.2 t -64.6 -42.0 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 175.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 76.6 mt -62.59 -33.6 75.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.121 0.486 . . . . 0.0 110.539 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -72.24 -56.11 6.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.247 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -100.95 -39.59 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -165.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 48' ' ' ARG . 48.6 mtt180 -108.04 19.48 19.94 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -164.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.508 HG21 HG21 ' A' ' 57' ' ' ILE . 3.1 p -144.27 158.96 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.245 176.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.17 144.48 48.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.94 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.94 -44.65 70.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.688 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.4 m -73.43 -20.0 60.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.368 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.894 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -85.76 -19.41 30.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.366 -178.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.813 ' HB3' HD11 ' B' ' 69' ' ' LEU . 88.0 mtt180 -51.94 -47.03 64.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.995 -175.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.733 ' HA ' HD21 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -60.82 -54.84 40.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.314 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.4 -52.79 63.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.814 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.508 HG21 HG21 ' A' ' 49' ' ' VAL . 11.6 tt -69.76 -24.65 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.383 -171.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.74 -42.95 57.32 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.887 0.375 . . . . 0.0 110.646 177.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 55' ' ' LYS . 42.1 mt-10 -71.17 -33.02 69.62 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HE3' HD11 ' A' ' 3' ' ' ILE . 49.7 tttm -53.43 -42.05 66.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.165 172.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.477 ' HB2' HD21 ' B' ' 34' ' ' LEU . 80.7 t80 -64.18 -53.21 52.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.784 176.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 66' ' ' MET . . . -62.8 -42.97 99.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.049 -174.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -66.54 -37.73 85.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.69 0.281 . . . . 0.0 110.792 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.47 -44.39 82.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.014 0.435 . . . . 0.0 110.111 176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.4 tp -63.98 -41.11 97.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.795 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -65.81 -28.92 69.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.672 -178.59 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 m -85.71 -25.38 26.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.844 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.1 m -89.08 5.59 43.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.386 0.612 . . . . 0.0 110.449 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tt -80.88 109.65 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.382 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -100.31 158.2 16.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.215 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.7 m -136.77 101.43 9.65 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.884 0.374 . . . . 0.0 110.694 179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -81.03 117.03 3.17 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.532 2.821 . . . . 0.0 111.394 178.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -86.41 170.24 12.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.651 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.2 p -93.44 -52.95 4.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.883 0.373 . . . . 0.0 111.407 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -130.7 168.04 17.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 tp -92.36 157.38 16.65 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.121 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -66.48 159.38 27.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.084 0.468 . . . . 0.0 111.676 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -76.89 112.33 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.756 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.42 ' HD2' ' HD2' ' A' ' 80' ' ' HIS . 27.0 p-80 -81.82 -28.03 33.32 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.307 172.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.42 ' HD2' ' HD2' ' A' ' 79' ' ' HIS . 79.4 m-70 -150.07 174.97 12.16 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.237 171.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -84.68 106.29 16.12 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.953 0.406 . . . . 0.0 110.608 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -135.75 12.4 3.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.442 0.639 . . . . 0.0 109.57 171.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.585 177.845 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -70.31 117.68 5.25 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.149 1.899 . . . . 0.0 111.639 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.1 pt -62.83 -35.64 71.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.065 0.46 . . . . 0.0 110.616 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.4 m -99.22 99.54 10.52 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.328 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' B' ' 7' ' ' TYR . 14.5 m -69.79 155.86 39.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.259 -179.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.52 ' HZ2' ' HB3' ' B' ' 6' ' ' LYS . 4.9 mmmp? -77.28 -24.08 51.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.027 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' B' ' 5' ' ' SER . 29.4 m-85 59.38 -160.61 0.28 Allowed 'General case' 0 C--O 1.233 0.198 0 O-C-N 123.842 0.714 . . . . 0.0 110.272 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.9 t -76.28 117.94 18.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.164 0.507 . . . . 0.0 110.166 174.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.99 -20.51 66.53 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.637 -177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.36 -42.53 99.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.008 0.432 . . . . 0.0 110.31 175.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.415 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.5 tt0 -67.51 -48.06 68.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.033 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.432 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 46.2 t -63.63 -52.81 52.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.396 -177.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -60.63 -40.71 92.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.36 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -67.36 -46.35 73.62 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.17 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.424 ' HA ' ' OE1' ' B' ' 18' ' ' GLU . 74.2 mt -60.79 -41.49 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.537 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 90.6 mt -56.94 -44.31 82.37 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 177.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.91 95.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.011 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.464 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.3 mt-10 -61.27 -52.15 65.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.755 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 92.3 t -59.18 -49.4 83.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.96 -37.52 79.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.254 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -67.52 -41.46 84.37 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.311 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.464 HG23 ' O ' ' B' ' 18' ' ' GLU . 91.9 t -60.99 -42.76 94.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.914 0.388 . . . . 0.0 110.352 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 66.6 mt -61.73 -46.68 88.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.625 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -71.22 -30.5 66.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.519 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -62.58 -35.07 78.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.612 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -96.47 7.99 45.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.238 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 60.74 46.3 9.16 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.613 0.571 . . . . 0.0 111.223 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.534 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -69.64 120.02 14.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.214 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.478 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 23.9 m -68.75 160.63 76.42 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.946 175.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 6.4 Cg_endo -49.19 -50.0 13.97 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 123.303 2.669 . . . . 0.0 113.226 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.44 -46.46 88.68 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.246 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' B' ' 28' ' ' ALA . 56.1 tp -60.24 -45.14 94.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.799 0.333 . . . . 0.0 110.345 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 96.9 m -57.23 -52.9 63.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.138 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 61' ' ' PHE . 5.9 tt -70.38 -31.17 68.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.656 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.2 ttp -66.23 -36.74 83.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.706 0.289 . . . . 0.0 110.317 175.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.42 ' O ' HG13 ' B' ' 40' ' ' ILE . 33.5 mt -62.89 -43.38 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.551 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.03 83.31 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 110.127 175.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.11 -44.52 95.64 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.045 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -56.61 -45.61 81.37 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.763 0.316 . . . . 0.0 110.491 177.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.448 ' O ' HG23 ' B' ' 44' ' ' VAL . 87.7 mt -54.9 -57.81 5.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.523 178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.461 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.83 -43.49 85.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.299 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 76.6 m -58.52 -54.33 48.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.361 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -64.15 -34.07 77.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.607 0.241 . . . . 0.0 111.214 -178.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 40' ' ' ILE . 75.5 t -68.93 -46.46 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.661 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.6 mt -64.8 -37.25 86.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.773 0.321 . . . . 0.0 111.575 -178.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -84.06 -23.65 30.74 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -175.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -124.02 -50.1 1.82 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -171.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -84.42 -42.76 15.33 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -170.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.54 HG21 HG21 ' B' ' 57' ' ' ILE . 4.2 p -77.45 155.23 5.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.919 0.39 . . . . 0.0 111.51 -172.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.05 129.81 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.789 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.69 -47.88 50.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.258 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 22.5 m -72.3 -12.12 61.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.87 0.367 . . . . 0.0 111.751 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -106.95 -4.57 18.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.356 0.598 . . . . 0.0 109.673 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -62.36 -53.4 55.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.913 -169.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -67.09 -41.16 86.81 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.381 0.61 . . . . 0.0 110.361 -175.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 90.5 mt -69.82 -50.78 39.54 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.686 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.54 HG21 HG21 ' B' ' 49' ' ' VAL . 11.1 tt -67.09 -30.12 48.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.023 -174.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.09 -41.53 86.17 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.203 0.525 . . . . 0.0 110.172 176.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.39 -44.05 72.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.232 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 66.7 mttm -58.05 -42.11 84.71 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.833 176.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -63.44 -47.59 81.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.024 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.83 -40.9 96.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.766 0.317 . . . . 0.0 110.434 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -59.52 -47.85 83.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.409 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.72 89.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.769 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . 0.404 ' HB3' ' HE3' ' B' ' 66' ' ' MET . 19.7 tp -64.33 -47.17 80.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.257 179.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.404 ' HE3' ' HB3' ' B' ' 65' ' ' LEU . 0.0 OUTLIER -65.64 -30.41 71.11 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.007 0.432 . . . . 0.0 110.975 177.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 70.2 m -76.15 -17.94 59.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.8 m -99.38 5.89 46.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.458 0.647 . . . . 0.0 110.236 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 54' ' ' ARG . 35.3 tp -87.81 104.46 16.6 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.077 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -47.92 -61.78 1.79 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.137 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' B' ' 72' ' ' PRO . 30.1 m 72.0 131.12 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 123.32 0.388 . . . . 0.0 110.788 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 71' ' ' THR . 12.2 Cg_exo -70.38 34.96 0.24 Allowed 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 123.299 2.666 . . . . 0.0 114.199 -175.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.77 -0.38 2.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.961 0.41 . . . . 0.0 111.125 177.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.3 p -92.58 -32.44 14.81 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.585 0.707 . . . . 0.0 109.323 171.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -97.11 83.19 3.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.931 176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -121.24 -170.35 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.701 0.286 . . . . 0.0 111.087 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.434 ' HB2' ' H ' ' B' ' 78' ' ' HIS . 2.3 mt-10 -84.79 -78.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.471 0.653 . . . . 0.0 109.84 -177.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . 0.434 ' H ' ' HB2' ' B' ' 77' ' ' GLU . 45.2 m-70 -138.75 73.79 1.45 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.256 -0.884 . . . . 0.0 108.644 178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -71.03 101.08 2.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.989 -174.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -119.17 140.18 50.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.753 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -103.8 109.78 21.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.953 0.406 . . . . 0.0 110.817 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 68.3 t60 45.96 79.67 0.05 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.396 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.229 175.634 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HB3' ' CD ' ' A' ' 2' ' ' PRO . 27.8 ttt . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 119.572 -0.251 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.449 ' CD ' ' HB3' ' A' ' 1' ' ' MET . 36.9 Cg_endo -66.94 137.04 43.46 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 121.469 1.446 . . . . 0.0 111.263 173.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 pt -88.91 171.18 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.658 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 m 71.72 91.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.538 0.524 . . . . 0.0 111.078 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -84.23 174.83 9.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.244 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -92.7 -23.92 18.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.791 0.329 . . . . 0.0 110.476 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 65.3 -170.19 0.2 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.365 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.7 m -76.72 119.6 20.74 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.937 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.3 -39.33 60.37 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.831 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -54.86 -51.68 65.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.58 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.563 ' O ' HG13 ' A' ' 15' ' ' ILE . 9.4 tt0 -55.26 -54.16 47.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.436 HG22 HD11 ' B' ' 32' ' ' LEU . 85.7 t -55.89 -52.5 48.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.078 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -58.6 -47.09 85.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.936 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 2.6 mptp? -70.12 -31.9 69.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.629 -175.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 11' ' ' GLN . 67.7 mt -68.66 -37.7 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.066 0.46 . . . . 0.0 109.907 175.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.454 HD23 HG23 ' B' ' 36' ' ' ILE . 82.0 mt -60.7 -40.83 93.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.576 176.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -59.98 -38.89 83.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.826 177.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 14' ' ' LYS . 5.8 mm-40 -59.85 -52.58 64.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.294 177.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 48.1 t -62.07 -39.91 85.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.792 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.66 -36.85 74.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 84.9 mt -70.17 -33.36 71.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.698 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.9 -40.32 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 74.4 mt -67.99 -32.31 72.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.464 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -67.96 -54.06 21.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.025 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.6 mtmt -64.84 -23.08 67.12 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -175.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.54 ' CG ' HG12 ' B' ' 15' ' ' ILE . 89.6 m-70 -100.16 -5.32 27.94 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.356 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.5 46.94 23.87 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.468 0.48 . . . . 0.0 110.945 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.85 129.29 39.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.046 -175.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.9 m -67.25 161.15 66.62 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.473 176.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.37 -55.96 2.92 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.969 2.446 . . . . 0.0 113.625 -177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HG2' HD11 ' B' ' 57' ' ' ILE . 33.0 mt-10 -61.27 -40.57 94.58 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.669 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 36' ' ' ILE . 63.7 tp -57.29 -48.88 77.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.009 0.433 . . . . 0.0 110.097 175.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 85.6 m -53.57 -50.88 64.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.362 177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.409 HD21 ' CG ' ' B' ' 61' ' ' PHE . 8.3 tt -71.34 -34.89 70.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.852 -176.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.9 ttp -64.94 -34.73 79.11 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.519 HG23 HD23 ' B' ' 16' ' ' LEU . 63.6 mt -60.92 -45.14 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.212 174.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.24 -43.31 87.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 110.475 175.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.32 -39.93 96.21 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.459 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -63.93 -38.31 90.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 44' ' ' VAL . 70.2 mt -56.59 -56.55 13.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.364 173.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.75 -42.25 88.43 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.995 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -58.71 -46.72 86.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -60.24 -39.38 86.49 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.597 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 40' ' ' ILE . 58.3 t -62.8 -43.82 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.006 0.432 . . . . 0.0 109.87 175.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 65.5 mt -66.49 -21.25 66.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.132 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -82.79 -54.35 5.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.691 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -122.15 -7.8 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 -168.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.414 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 75.7 mtp180 -126.86 27.74 5.95 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.018 -0.673 . . . . 0.0 112.582 -169.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.446 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 4.8 p -153.63 167.29 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 177.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -89.73 156.66 18.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.827 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.57 -53.31 59.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.733 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 m -65.03 -27.91 69.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 5.2 tp60 -82.48 -15.49 52.28 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.405 -174.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 54' ' ' ARG . 15.4 mtm180 -58.11 -56.94 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HA ' HD21 ' B' ' 69' ' ' LEU . 18.1 tptm -65.74 -38.84 90.23 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.784 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.28 -49.18 67.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.625 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.6 tt -73.51 -31.21 32.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.725 0.297 . . . . 0.0 110.973 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.01 -31.45 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 110.254 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.93 -39.22 76.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.814 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -59.78 -43.94 94.15 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.009 0.433 . . . . 0.0 109.914 173.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.497 ' HE2' ' CE2' ' B' ' 61' ' ' PHE . 66.1 t80 -57.11 -53.9 52.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.631 177.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.56 -43.0 93.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -60.32 -46.75 88.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.633 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.82 92.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.799 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.15 -38.61 85.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.506 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.533 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 32.3 mmt -67.35 -28.4 67.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.093 0.473 . . . . 0.0 110.1 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.8 t -70.71 -47.33 60.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.694 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.9 m -83.87 -3.96 58.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.452 -177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' B' ' 55' ' ' LYS . 16.2 tp -62.78 105.46 0.66 Allowed 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.247 174.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.651 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 32.3 mt-10 -68.22 121.17 15.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.991 0.424 . . . . 0.0 110.82 177.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.9 m -103.11 81.96 0.45 Allowed Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 167.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.651 ' HD3' ' O ' ' A' ' 70' ' ' GLU . 2.8 Cg_exo -75.85 118.49 5.07 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.942 2.428 . . . . 0.0 112.005 -173.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -104.98 15.14 28.24 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.895 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.5 t -114.0 94.25 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.635 179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -134.52 42.31 2.85 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.9 mt -129.5 -79.31 0.55 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.191 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -108.86 -174.34 2.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.783 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -120.13 89.61 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.399 . . . . 0.0 111.274 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -162.46 136.71 6.53 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.412 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -76.42 -32.72 58.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.809 -175.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -105.47 179.57 4.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.866 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -71.82 145.7 48.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.638 0.256 . . . . 0.0 110.425 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.607 179.45 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.71 ' HB3' ' HD3' ' B' ' 2' ' ' PRO . 25.7 ttt . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.71 ' HD3' ' HB3' ' B' ' 1' ' ' MET . 32.1 Cg_exo -59.21 109.06 0.48 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 122.239 1.959 . . . . 0.0 112.732 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 7.4 tp -121.09 133.88 66.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 174.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 12.2 m -60.68 104.54 0.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.424 0.63 . . . . 0.0 110.913 -175.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -113.75 174.16 6.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.911 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.91 -21.0 63.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.489 ' OH ' ' HB2' ' A' ' 31' ' ' GLU . 67.7 m-85 57.93 -151.49 0.42 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -173.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.423 ' H ' ' HB3' ' B' ' 7' ' ' TYR . 57.9 m -83.55 103.81 13.18 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 168.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -53.45 -36.79 61.97 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.383 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 16.4 mp0 -54.21 -51.7 63.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.201 176.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.619 ' O ' HG13 ' B' ' 15' ' ' ILE . 29.5 tt0 -63.37 -44.31 95.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.204 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -55.12 -51.09 58.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.649 178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -52.0 -53.76 37.86 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 123.434 0.459 . . . . 0.0 111.575 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.589 ' HD2' ' N ' ' B' ' 14' ' ' LYS . 7.3 mptt -68.41 -32.58 72.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.004 -170.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.619 HG13 ' O ' ' B' ' 11' ' ' GLN . 55.5 mt -66.11 -53.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.519 HD23 HG23 ' A' ' 36' ' ' ILE . 91.8 mt -56.77 -41.61 77.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.027 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.26 85.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.109 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.413 ' O ' HG23 ' B' ' 22' ' ' VAL . 41.9 mt-10 -76.67 -35.13 58.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.104 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.534 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 86.3 t -62.2 -45.33 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.934 0.397 . . . . 0.0 110.327 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.81 -32.78 74.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.558 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -65.87 -42.04 90.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.753 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 18' ' ' GLU . 72.9 t -61.2 -43.55 96.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.804 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 71.9 mt -61.5 -38.1 86.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.268 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -68.86 -46.18 69.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.705 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -56.33 -45.45 80.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.656 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 -91.28 7.91 38.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.663 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.14 47.8 22.41 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.141 0.496 . . . . 0.0 111.624 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.526 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -73.53 118.16 16.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.392 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.4 m -66.85 163.3 44.67 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.571 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.64 -52.9 7.82 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.933 2.422 . . . . 0.0 113.65 -176.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -68.81 -34.34 75.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.615 0.245 . . . . 0.0 110.747 -177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' B' ' 28' ' ' ALA . 63.1 tp -64.04 -42.9 96.91 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.235 0.541 . . . . 0.0 109.742 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 53.3 m -57.67 -47.02 83.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.849 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.18 -33.93 70.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.704 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 13.1 ttm -62.1 -45.58 92.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.119 0.485 . . . . 0.0 109.937 175.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.601 ' O ' HG12 ' B' ' 40' ' ' ILE . 32.4 mt -58.03 -40.86 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.37 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.4 -36.55 78.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.01 0.433 . . . . 0.0 110.407 176.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.02 -39.92 94.99 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.01 -0.614 . . . . 0.0 111.708 175.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -59.83 -41.6 91.72 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.601 HG12 ' O ' ' B' ' 36' ' ' ILE . 46.2 mm -59.38 -56.74 15.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.433 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.11 -39.25 74.72 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.116 -179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -61.24 -47.63 85.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.713 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -63.06 -36.51 83.82 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.918 0.39 . . . . 0.0 110.784 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.473 HG23 ' O ' ' B' ' 40' ' ' ILE . 67.4 t -61.01 -47.07 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.85 174.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.465 ' HA ' HG11 ' B' ' 49' ' ' VAL . 92.4 mt -65.67 -29.7 70.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.329 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -70.02 -51.04 35.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.511 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -122.0 -45.55 2.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -169.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 48' ' ' ARG . 52.6 mtt180 -93.49 43.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -167.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.545 HG13 ' HE ' ' B' ' 54' ' ' ARG . 9.8 p -159.18 150.0 7.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.932 0.396 . . . . 0.0 111.047 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.7 153.1 33.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.33 68.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.701 0.286 . . . . 0.0 111.691 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 13.7 m -65.76 -26.61 67.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.047 0.451 . . . . 0.0 111.286 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -88.23 -17.76 30.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.335 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.545 ' HE ' HG13 ' B' ' 49' ' ' VAL . 21.4 ttm180 -59.34 -59.88 4.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.387 -168.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.481 ' HG2' HD21 ' A' ' 69' ' ' LEU . 46.6 mtpt -70.41 -31.06 68.1 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.476 -177.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.85 -44.55 63.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.672 0.272 . . . . 0.0 111.151 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.625 ' HA ' ' HD3' ' B' ' 60' ' ' LYS . 13.1 tt -68.76 -29.2 42.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.022 -177.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.69 -42.52 81.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.728 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.29 -37.12 69.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.521 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.625 ' HD3' ' HA ' ' B' ' 57' ' ' ILE . 51.2 mtpt -52.52 -49.51 64.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.354 0.597 . . . . 0.0 110.007 172.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.497 ' CE2' ' HE2' ' A' ' 61' ' ' PHE . 9.7 t80 -61.42 -52.44 64.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.681 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' B' ' 66' ' ' MET . . . -57.46 -40.77 79.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.73 -0.214 . . . . 0.0 111.563 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -62.75 -46.67 86.99 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.12 -48.12 82.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 15.1 tp -63.86 -38.01 89.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.668 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' B' ' 62' ' ' ALA . 0.0 OUTLIER -72.56 -19.42 61.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.216 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 71.5 m -93.66 -30.95 14.67 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.177 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 36.7 p -89.63 13.22 14.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.369 0.604 . . . . 0.0 110.291 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' ' 55' ' ' LYS . 35.6 tp -77.94 27.4 0.18 Allowed 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.47 -176.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 69' ' ' LEU . 35.3 mm-40 70.05 -46.16 0.6 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.55 0.74 . . . . 0.0 111.183 -176.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 9.6 m 59.07 70.49 1.13 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.603 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -94.16 159.37 2.12 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.962 2.441 . . . . 0.0 111.585 175.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp 71.55 118.29 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.911 0.863 . . . . 0.0 111.664 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 71.03 99.46 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 113.826 -1.534 . . . . 0.0 112.244 172.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -129.96 -10.89 4.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.783 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 86.9 mt -78.19 143.91 36.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.05 -15.83 15.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.985 0.422 . . . . 0.0 110.769 177.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -95.1 103.26 15.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.39 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -130.15 -72.25 0.58 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.666 175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -165.59 158.33 15.5 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -60.19 112.67 2.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 110.273 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -71.73 121.57 19.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.239 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.287 -0.87 . . . . 0.0 108.775 174.208 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.645 0.26 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -73.85 92.54 0.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.576 2.184 . . . . 0.0 110.988 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.474 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -79.35 -7.24 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.05 -177.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.5 m 70.19 99.74 0.06 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.08 -175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.527 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 46.8 t -83.3 155.84 23.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.197 -177.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.694 ' HD2' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -95.92 -10.43 28.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.099 176.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.527 ' CE2' ' HB3' ' A' ' 5' ' ' SER . 90.9 m-85 52.7 -152.57 0.26 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.234 174.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.435 ' H ' ' HB3' ' A' ' 7' ' ' TYR . 51.7 p -88.02 143.84 26.86 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.766 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.49 -29.73 70.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.62 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.41 -49.08 67.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.381 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' O ' HG13 ' A' ' 15' ' ' ILE . 52.4 tt0 -58.93 -57.16 14.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.928 -175.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.45 -45.82 97.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.105 -177.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.6 -40.43 91.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.413 -176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 66.7 mmtt -75.48 -36.59 60.6 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 11' ' ' GLN . 50.9 mt -67.23 -46.15 84.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.062 -0.655 . . . . 0.0 109.395 175.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.4 HD23 HG23 ' B' ' 36' ' ' ILE . 74.5 mt -60.14 -36.03 76.62 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.5 176.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' LEU . . . -56.49 -54.15 49.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.784 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.6 mt-10 -67.87 -44.3 77.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.314 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 75.2 t -59.36 -51.04 77.37 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.672 0.272 . . . . 0.0 111.094 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.72 -32.21 72.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.815 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.554 ' HB2' ' O ' ' A' ' 17' ' ' ALA . 2.5 tt -64.44 -42.16 96.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' GLU . 82.2 t -58.72 -44.51 90.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.984 0.421 . . . . 0.0 110.175 177.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.53 HD13 HG23 ' A' ' 33' ' ' THR . 58.9 mt -62.83 -43.27 99.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.392 178.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -67.96 -46.83 70.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.749 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -65.64 -34.46 78.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.641 -176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -91.3 7.27 41.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.804 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.89 46.76 19.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.83 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -70.99 124.07 23.52 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.54 ' HB2' ' OE1' ' A' ' 31' ' ' GLU . 5.5 m -67.68 162.03 61.01 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.202 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.54 -49.81 16.18 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.883 2.388 . . . . 0.0 113.506 -178.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.54 ' OE1' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -71.38 -36.17 71.32 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.537 -177.429 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 28' ' ' ALA . 57.6 tp -59.2 -47.18 86.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.159 0.504 . . . . 0.0 109.954 171.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.53 HG23 HD13 ' A' ' 23' ' ' LEU . 54.4 m -56.35 -49.17 75.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.128 177.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.436 HD12 ' HB ' ' B' ' 44' ' ' VAL . 0.5 OUTLIER -69.53 -33.51 72.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.857 -175.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -64.0 -40.63 96.79 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 40' ' ' ILE . 43.6 mt -60.9 -41.89 90.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.659 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.22 91.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.975 0.417 . . . . 0.0 110.656 177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.31 -36.98 93.41 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.112 177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -64.09 -39.94 95.16 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 36' ' ' ILE . 80.6 mt -56.86 -53.64 39.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.238 175.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.02 -45.27 87.18 Favored 'General case' 0 CA--C 1.524 -0.042 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.493 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.3 m -56.33 -49.13 75.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.245 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -59.83 -46.97 87.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.597 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 40' ' ' ILE . 62.9 t -61.68 -47.36 93.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.783 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.803 HD13 HD12 ' B' ' 69' ' ' LEU . 94.4 mt -63.25 -32.4 73.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.96 0.409 . . . . 0.0 111.733 -177.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -78.13 -41.84 33.69 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -117.57 -34.29 4.3 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -110.74 18.88 19.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -165.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 3.9 p -139.82 164.88 22.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -77.92 143.94 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.367 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.45 -46.35 80.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.261 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.1 m -63.31 -29.48 70.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.604 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.539 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 8.1 tp60 -87.49 -16.6 34.27 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.349 -172.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.547 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 14.2 mtm-85 -53.89 -58.68 6.37 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -173.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -62.53 -39.81 94.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.92 0.39 . . . . 0.0 110.544 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.04 -48.16 63.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.762 -175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.9 tt -74.03 -30.37 27.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.12 71.52 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.192 0.52 . . . . 0.0 110.005 175.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -68.97 -37.67 78.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.863 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 9.2 mtpm? -56.96 -45.7 82.66 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 172.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.52 ' HB2' HD21 ' B' ' 34' ' ' LEU . 86.6 t80 -58.58 -53.99 52.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.722 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.9 -46.91 87.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.721 -176.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 6.8 tp60 -67.62 -39.25 84.69 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.618 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.92 76.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.325 0.583 . . . . 0.0 110.191 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.3 tp -70.08 -41.67 73.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.581 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.5 mmt -79.18 -11.6 59.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.327 -176.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 p -94.64 -25.25 16.84 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.775 0.321 . . . . 0.0 110.58 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.1 p -91.01 -25.44 19.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.182 0.515 . . . . 0.0 110.381 175.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.434 HD11 ' CG ' ' B' ' 54' ' ' ARG . 58.1 tp -59.4 131.53 51.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.667 176.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.581 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 36.4 mt-10 -95.14 80.72 3.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.626 0.727 . . . . 0.0 111.802 179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.591 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 2.4 p -90.1 177.34 2.44 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.988 170.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 52.7 Cg_exo -56.22 109.48 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 121.69 1.594 . . . . 0.0 111.017 172.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 71' ' ' THR . 66.1 mttm -103.47 115.68 30.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.237 -172.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.2 t -79.01 115.71 18.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 171.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -90.03 41.21 1.04 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.525 -173.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 59.9 tp -120.39 115.84 24.31 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.184 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 77' ' ' GLU . 0.5 OUTLIER -135.48 115.59 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 171.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -137.43 104.76 5.46 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.884 0.373 . . . . 0.0 110.119 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -99.97 131.19 46.08 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.827 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -72.27 -40.27 67.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -175.73 -57.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.734 169.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -97.34 -29.51 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.333 0.587 . . . . 0.0 109.89 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t60 . . . . . 0 C--O 1.245 0.817 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.231 -178.699 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 52.2 ttm . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.717 0.294 . . . . 0.0 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -87.99 177.27 3.54 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.671 2.247 . . . . 0.0 112.295 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -114.13 -165.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.407 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m -60.99 111.75 1.8 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.849 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m 69.5 167.25 0.28 Allowed 'General case' 0 CA--C 1.533 0.293 0 O-C-N 123.887 0.742 . . . . 0.0 110.778 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -84.06 73.8 10.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.299 0.571 . . . . 0.0 111.152 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -95.58 137.72 34.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.25 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 58.4 m -57.41 118.51 5.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.972 175.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.42 -27.08 69.05 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.849 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 4.9 tm-20 -60.14 -47.61 85.21 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 174.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -61.17 -52.44 64.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.906 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 98.0 t -59.38 -41.74 85.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.64 -178.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -60.64 -40.9 93.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.558 ' O ' ' HG2' ' B' ' 18' ' ' GLU . 32.5 mmtp -65.14 -45.55 84.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.402 ' O ' HG23 ' B' ' 19' ' ' VAL . 57.5 mt -63.16 -41.91 94.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.863 0.364 . . . . 0.0 110.239 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 95.7 mt -60.77 -42.64 97.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.654 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.54 95.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.787 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 29.3 mm-40 -62.47 -50.73 70.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.446 177.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.595 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 97.1 t -59.89 -49.3 84.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.886 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.04 75.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.582 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.09 -43.38 87.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.104 177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 18' ' ' GLU . 95.7 t -61.01 -38.88 80.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.981 0.42 . . . . 0.0 110.521 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 75.6 mt -61.83 -49.92 74.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.369 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.59 -33.28 72.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.538 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.11 -37.78 78.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.756 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -99.28 7.12 45.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.81 41.44 28.05 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 122.779 0.432 . . . . 0.0 111.889 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 149.99 49.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.214 0.53 . . . . 0.0 111.778 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 3.3 p -89.81 165.22 25.73 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.253 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -56.21 -49.67 14.53 Favored 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 122.807 2.338 . . . . 0.0 113.531 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' B' ' 31' ' ' GLU . 0.0 OUTLIER -73.57 -32.22 64.02 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.796 -0.362 . . . . 0.0 111.438 -176.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.29 -45.76 93.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.168 0.509 . . . . 0.0 109.641 171.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.447 HG23 HD13 ' B' ' 23' ' ' LEU . 55.3 m -55.52 -49.13 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.038 176.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.52 HD21 ' HB2' ' A' ' 61' ' ' PHE . 7.7 tt -69.03 -34.82 75.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.757 -177.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -65.66 -38.02 88.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.017 0.437 . . . . 0.0 110.096 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.4 HG23 HD23 ' A' ' 16' ' ' LEU . 46.3 mt -58.21 -45.23 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.615 175.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.35 -37.49 75.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.521 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.91 -47.82 89.33 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.661 -0.699 . . . . 0.0 112.01 176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -59.32 -37.76 78.6 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.542 0.211 . . . . 0.0 110.817 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.435 ' O ' HG23 ' B' ' 44' ' ' VAL . 72.2 mt -59.26 -56.02 19.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.237 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.65 86.17 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.046 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 49.4 m -57.66 -53.29 59.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -59.45 -45.96 90.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.576 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 58.7 t -63.44 -47.2 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.088 -178.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.03 -25.24 65.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -92.07 -46.36 7.82 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.823 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -113.46 -7.12 13.45 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -169.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.576 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 97.8 mtt180 -131.96 23.0 4.56 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -175.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.414 HG21 HG21 ' B' ' 57' ' ' ILE . 3.3 p -146.93 158.24 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.85 146.39 49.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.618 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.68 98.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.556 0.217 . . . . 0.0 111.452 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 16.2 m -65.41 -31.01 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.217 0.532 . . . . 0.0 110.37 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 13.5 tp60 -85.52 -18.53 33.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.343 -178.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.434 ' CG ' HD11 ' A' ' 69' ' ' LEU . 32.8 ttm180 -53.38 -59.99 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.639 -0.709 . . . . 0.0 112.765 -169.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -79.36 -16.77 55.73 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.242 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -80.3 -45.79 17.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.131 0.491 . . . . 0.0 109.774 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.439 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.5 tt -73.53 -29.05 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.882 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.82 -34.02 68.97 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.107 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -64.04 -44.17 93.33 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -62.24 -48.58 79.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.229 176.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -56.24 -51.14 69.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.434 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.97 83.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.051 0.453 . . . . 0.0 110.949 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -66.17 -36.77 83.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.01 -37.83 86.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.623 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 36.9 tp -59.75 -46.6 88.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.435 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -26.35 64.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.396 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.0 m -78.18 -24.8 47.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.959 0.409 . . . . 0.0 110.345 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.4 t -97.62 1.12 48.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.44 0.638 . . . . 0.0 109.869 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.803 HD12 HD13 ' A' ' 45' ' ' LEU . 7.9 tt -83.3 125.88 32.09 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.513 -0.767 . . . . 0.0 108.992 175.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.407 ' OE1' ' HA ' ' B' ' 70' ' ' GLU . 5.4 tp10 -75.62 132.98 40.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.287 0.565 . . . . 0.0 110.848 -177.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' B' ' 72' ' ' PRO . 2.7 p -103.23 143.77 27.29 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.869 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 71' ' ' THR . 5.3 Cg_exo -76.76 104.73 1.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.944 2.429 . . . . 0.0 111.409 178.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -79.56 108.87 13.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.567 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 22.2 p -76.99 -52.79 8.75 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.314 177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -151.36 137.95 18.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.483 174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 89.9 mt -71.93 111.45 7.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.053 0.454 . . . . 0.0 111.676 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.462 ' OE2' ' HD2' ' B' ' 80' ' ' HIS . 1.5 tm-20 -96.78 106.68 19.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.513 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -104.12 25.72 9.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.741 -177.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 63.36 51.16 2.71 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 -172.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.462 ' HD2' ' OE2' ' B' ' 77' ' ' GLU . 8.1 p80 -86.03 133.47 33.9 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.984 -170.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 49.2 t60 71.65 -59.07 0.56 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.349 173.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . 0.546 ' O ' ' HB2' ' B' ' 83' ' ' HIS . 81.0 t60 -76.67 -88.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.378 -0.231 . . . . 0.0 110.378 -178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.546 ' HB2' ' O ' ' B' ' 82' ' ' HIS . 3.2 t-160 . . . . . 0 C--O 1.244 0.811 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 25.6 ttt . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 110.567 -0.16 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 23.5 Cg_exo -64.22 103.13 0.41 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.721 2.28 . . . . 0.0 111.636 175.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.3 tt -88.99 -50.78 13.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.345 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.8 m -96.53 86.69 4.2 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m 68.7 160.97 0.19 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.899 0.749 . . . . 0.0 110.581 -173.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -78.12 80.54 4.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.232 0.539 . . . . 0.0 111.475 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -93.72 139.04 31.29 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.509 171.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.4 m -52.94 114.32 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.695 0.622 . . . . 0.0 110.76 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -54.94 -44.53 74.39 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.262 -173.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.758 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 22.8 mt-10 -55.38 -49.5 72.15 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.077 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -55.2 -47.96 74.53 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.497 0.498 . . . . 0.0 110.987 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' B' ' 32' ' ' LEU . 38.9 t -61.42 -45.84 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.017 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.79 -34.39 77.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.375 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.758 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 30.8 mmtp -65.65 -48.23 72.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.097 0.475 . . . . 0.0 110.068 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -63.88 -42.11 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.952 178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.5 mt -59.43 -36.14 75.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.789 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -48.12 81.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.676 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -62.93 -46.63 86.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.014 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.26 -41.66 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 120.745 0.307 . . . . 0.0 111.076 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.89 -37.14 78.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.6 mt -69.94 -31.05 68.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.976 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -66.02 -42.09 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.255 0.55 . . . . 0.0 109.832 175.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.8 mt -69.07 -39.21 79.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.344 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.83 -44.91 88.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.392 -177.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -68.19 -23.67 64.87 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.691 0.281 . . . . 0.0 111.495 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.4 m-70 -93.84 -4.18 50.55 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.189 -0.204 . . . . 0.0 111.022 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.42 44.14 27.59 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.558 0.536 . . . . 0.0 110.666 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -62.85 131.08 47.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.578 -176.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.3 p -72.98 163.8 65.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.856 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -52.72 -46.08 36.02 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.52 2.147 . . . . 0.0 112.676 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.767 ' HB3' HG23 ' B' ' 4' ' ' THR . 20.5 mt-10 -69.44 -39.41 77.82 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 120.954 -0.299 . . . . 0.0 111.462 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' HB2' ' CE2' ' B' ' 7' ' ' TYR . 58.5 tp -62.61 -46.9 86.14 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 121.086 0.469 . . . . 0.0 109.79 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.1 m -53.45 -51.14 63.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.952 176.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD21 ' HB2' ' B' ' 61' ' ' PHE . 8.5 tt -70.73 -34.9 72.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.842 -176.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.771 ' HE1' ' HA ' ' B' ' 6' ' ' LYS . 29.9 ttp -64.76 -34.08 77.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.27 177.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' ' 40' ' ' ILE . 31.1 mt -64.6 -42.36 94.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.524 175.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.1 83.68 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.929 0.395 . . . . 0.0 110.621 176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.81 -41.0 99.93 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.912 -0.586 . . . . 0.0 112.179 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -62.03 -41.74 98.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.47 0.176 . . . . 0.0 110.547 176.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 36' ' ' ILE . 86.8 mt -56.45 -56.49 13.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.582 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.561 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.8 -53.73 54.46 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.36 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.4 m -55.16 -43.07 73.92 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.095 0.474 . . . . 0.0 111.489 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -63.95 -47.46 80.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.58 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 47' ' ' GLN . 87.8 t -65.98 -35.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.744 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.73 HD13 HD13 ' B' ' 69' ' ' LEU . 96.0 mt -65.15 -25.92 67.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.845 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -89.8 -41.43 11.86 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.091 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.559 ' O ' ' HA ' ' A' ' 44' ' ' VAL . 28.8 pt20 -136.59 137.58 40.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.86 178.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 94.9 mtt-85 91.95 14.65 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.182 1.393 . . . . 0.0 110.854 -178.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG11 ' HA ' ' A' ' 45' ' ' LEU . 1.3 p -141.39 158.93 22.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 120.762 0.315 . . . . 0.0 110.314 173.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -79.66 163.08 24.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.805 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.34 -41.44 56.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 110.482 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -63.12 -34.57 77.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.339 0.59 . . . . 0.0 110.121 176.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.52 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -88.33 -8.0 55.82 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.568 -176.693 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 -60.11 -67.91 0.34 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.935 -170.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -74.66 -26.9 60.16 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.1 -178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -48.32 72.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.241 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.1 tt -69.9 -32.25 51.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.044 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.34 88.49 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.931 0.396 . . . . 0.0 110.764 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -71.16 -40.18 71.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.56 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -60.19 -40.87 91.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.099 0.476 . . . . 0.0 110.129 174.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -60.61 -51.22 70.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.08 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.477 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -57.08 -40.74 77.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -65.29 -47.46 76.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.271 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.04 -38.52 79.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.676 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.7 tp -64.17 -42.54 96.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.483 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.477 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 25.4 mmt -71.61 -31.0 66.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.176 0.513 . . . . 0.0 110.301 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.3 m -71.71 -19.01 62.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.067 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.6 p -110.53 13.0 22.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.39 0.614 . . . . 0.0 110.499 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 tp -96.59 107.92 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.148 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -74.02 99.51 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.279 0.561 . . . . 0.0 111.485 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.5 m -124.23 87.73 53.45 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.812 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -81.42 -46.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.378 2.052 . . . . 0.0 112.165 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -171.9 170.38 5.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.628 -177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 75' ' ' HIS . 7.5 t -129.8 -43.46 1.23 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 171.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 74' ' ' THR . 4.8 p80 175.24 124.64 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 173.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.86 -85.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.336 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 57.55 28.85 16.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.75 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -119.97 121.9 40.0 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 171.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -110.08 -69.36 0.87 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.823 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.6 m80 66.03 153.3 0.07 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.687 0.617 . . . . 0.0 110.972 -176.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -105.05 -23.35 12.96 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 122.054 -0.404 . . . . 0.0 110.266 176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -97.41 -71.81 0.67 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.279 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.996 -178.528 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.25 -158.65 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.923 2.415 . . . . 0.0 112.247 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.9 pt -72.07 179.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.011 0.434 . . . . 0.0 110.099 175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.767 HG23 ' HB3' ' A' ' 31' ' ' GLU . 54.0 m -90.31 125.78 35.63 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.853 174.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -54.91 124.68 17.42 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 123.398 0.436 . . . . 0.0 110.094 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.771 ' HA ' ' HE1' ' A' ' 35' ' ' MET . 51.3 mtpt -82.11 -15.74 52.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.961 -175.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 67.7 m-85 60.74 -151.96 0.39 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.116 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 12.8 p -67.7 104.54 1.66 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.519 173.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -56.1 -40.31 73.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.208 0.528 . . . . 0.0 110.809 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.626 ' H ' ' CD ' ' B' ' 10' ' ' GLU . 2.0 mp0 -53.73 -48.45 69.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.228 178.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.563 ' O ' HG13 ' B' ' 15' ' ' ILE . 6.8 tt0 -70.63 -40.75 72.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.62 -176.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 80.8 t -58.84 -44.78 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.63 -42.31 74.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.191 0.52 . . . . 0.0 110.495 175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 34.3 mmtp -69.9 -44.12 70.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.593 -178.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.563 HG13 ' O ' ' B' ' 11' ' ' GLN . 54.8 mt -62.96 -41.41 92.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.782 0.325 . . . . 0.0 110.289 179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 93.5 mt -58.37 -40.41 82.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.547 177.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.93 89.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.655 177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.487 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.9 mt-10 -57.58 -49.88 74.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.725 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 87.9 t -62.3 -48.88 86.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.167 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -61.38 -34.46 75.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.86 0.362 . . . . 0.0 111.146 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 tt -66.02 -39.81 90.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.332 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.487 HG23 ' O ' ' B' ' 18' ' ' GLU . 66.1 t -63.0 -38.4 81.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.224 0.535 . . . . 0.0 110.275 177.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.636 HD13 HG23 ' B' ' 33' ' ' THR . 58.6 mt -64.17 -49.64 71.29 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.341 178.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -71.66 -21.77 61.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.198 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.9 -33.62 76.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.445 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -104.9 4.99 32.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.07 44.56 22.4 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.292 0.568 . . . . 0.0 110.792 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.65 122.7 17.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.31 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.428 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 33.4 m -71.4 159.77 84.53 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.056 177.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 1.7 Cg_endo -44.03 -48.37 9.42 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.657 2.905 . . . . 0.0 113.429 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 3.1 mp0 -57.39 -50.43 72.99 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.302 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.4 ' CD1' HG22 ' A' ' 12' ' ' VAL . 54.8 tp -63.49 -47.21 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.898 -178.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.636 HG23 HD13 ' B' ' 23' ' ' LEU . 53.5 m -56.96 -50.25 73.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.515 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 tt -72.77 -31.21 64.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.294 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.438 ' HB2' ' HE2' ' B' ' 35' ' ' MET . 14.9 ttm -61.33 -39.82 91.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.204 0.526 . . . . 0.0 109.961 175.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.84 -44.03 98.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.741 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.86 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.48 . . . . 0.0 110.168 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.72 -46.16 92.65 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.114 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -55.75 -39.95 71.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.52 0.2 . . . . 0.0 110.696 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.441 ' O ' HG23 ' B' ' 44' ' ' VAL . 75.2 mt -59.96 -59.75 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.477 175.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.502 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.64 -42.24 83.01 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.354 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 53.1 m -56.63 -52.97 62.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.043 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.23 -41.53 97.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.522 -176.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.834 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 69.3 t -62.39 -49.33 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.72 177.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 91.2 mt -68.74 -16.54 63.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.889 -176.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -97.96 -51.2 4.13 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -122.68 6.24 9.45 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -168.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.834 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 28.5 mmt180 -123.94 10.51 8.87 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.206 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.617 HG21 HG21 ' B' ' 57' ' ' ILE . 9.8 p -144.62 152.67 15.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.837 0.351 . . . . 0.0 110.374 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.41 151.64 42.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.744 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.46 80.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.789 0.328 . . . . 0.0 111.235 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.1 m -66.79 -30.05 70.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.403 0.621 . . . . 0.0 110.472 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.579 ' HB3' HG22 ' B' ' 49' ' ' VAL . 5.1 tp60 -94.17 -4.96 48.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.448 -174.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 -61.65 -65.05 0.75 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.9 -169.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.7 -29.38 67.81 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.943 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 tt -63.62 -49.92 71.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.127 0.489 . . . . 0.0 109.829 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.617 HG21 HG21 ' B' ' 49' ' ' VAL . 9.9 tt -75.03 -28.58 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.36 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 -38.71 80.51 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.15 0.5 . . . . 0.0 110.159 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.68 -36.91 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.99 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -56.74 -54.31 47.77 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.886 174.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.507 ' HB2' HD21 ' A' ' 34' ' ' LEU . 90.6 t80 -58.15 -53.32 59.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.467 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -62.1 -48.93 77.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.698 -175.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -65.9 -41.43 91.5 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.649 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.34 96.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 0.0 110.403 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 17.9 tp -62.7 -38.74 91.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.259 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.5 mmt -76.74 -34.5 58.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 65.1 p -73.82 -21.76 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 0.0 110.766 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 18.0 t -103.21 9.36 38.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.227 0.537 . . . . 0.0 109.853 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.73 HD13 HD13 ' A' ' 45' ' ' LEU . 68.9 tp -91.12 134.66 34.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.012 179.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -52.06 -46.88 65.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.416 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 15.2 m 64.99 95.09 0.05 OUTLIER Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.245 176.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.14 42.34 0.74 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.868 2.379 . . . . 0.0 113.466 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' B' ' 73' ' ' LYS . 46.1 mtpt -133.86 1.74 3.34 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.921 0.391 . . . . 0.0 110.415 176.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 16.1 p -62.65 -57.39 11.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.84 -175.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -78.99 -18.31 53.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.851 0.357 . . . . 0.0 110.984 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -77.97 -31.34 50.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.369 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.559 ' OE1' ' HB2' ' B' ' 80' ' ' HIS . 0.6 OUTLIER -113.61 117.04 30.5 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.904 0.383 . . . . 0.0 110.739 -176.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -130.93 148.39 52.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.557 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 78.54 -21.95 0.31 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.971 170.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.559 ' HB2' ' OE1' ' B' ' 77' ' ' GLU . 38.8 m80 -92.28 -44.67 8.62 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 12.2 m80 -61.42 110.14 1.36 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.331 0.586 . . . . 0.0 111.277 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -111.94 137.09 50.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.319 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 10.0 m170 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.706 173.893 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.63 0.253 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.07 -66.49 0.02 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.545 2.163 . . . . 0.0 110.602 171.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.9 pt -144.63 -32.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.926 173.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.464 HG22 ' OE2' ' B' ' 31' ' ' GLU . 0.2 OUTLIER -148.03 -170.04 3.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 6' ' ' LYS . 66.0 m -71.05 -4.98 27.91 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 177.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 5' ' ' SER . 80.4 tttt 74.68 -60.62 0.51 Allowed 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.423 0.689 . . . . 0.0 112.566 175.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 64.03 -157.67 0.31 Allowed 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -172.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.2 m -89.8 124.0 34.27 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.552 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -58.89 -40.44 84.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.315 -176.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.92 -42.33 75.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.352 . . . . 0.0 111.131 176.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 15' ' ' ILE . 8.5 tt0 -69.32 -55.26 10.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.202 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.412 HG22 ' CD1' ' B' ' 32' ' ' LEU . 60.4 t -55.96 -51.25 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.332 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.85 -44.14 97.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.25 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -29.25 63.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.276 -176.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 11' ' ' GLN . 77.8 mt -65.3 -47.85 85.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 172.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.453 HD23 HG23 ' B' ' 36' ' ' ILE . 89.1 mt -57.94 -41.6 83.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.737 177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.78 -44.89 86.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.265 179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.65 -38.56 83.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.171 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 15' ' ' ILE . 99.8 t -64.28 -45.39 96.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.96 0.409 . . . . 0.0 110.106 176.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.67 71.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.102 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.9 tt -68.06 -40.85 82.69 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.11 -47.6 92.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.198 177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.9 -37.92 77.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.687 178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.22 -51.86 22.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.762 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -63.4 -40.7 97.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.516 -176.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -86.76 1.37 52.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.021 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.02 45.14 21.59 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 123.658 0.599 . . . . 0.0 111.678 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.61 123.63 21.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -65.51 155.54 85.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.4 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.434 ' HB3' ' HD3' ' B' ' 48' ' ' ARG . 53.6 Cg_exo -52.74 -46.73 31.5 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.71 2.273 . . . . 0.0 112.466 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.94 -45.85 93.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.98 0.419 . . . . 0.0 110.375 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HA ' ' HE3' ' A' ' 35' ' ' MET . 65.6 tp -61.18 -38.78 87.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.478 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.1 m -58.88 -53.05 62.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.187 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -68.52 -31.43 70.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.976 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.49 ' HE3' ' HA ' ' A' ' 32' ' ' LEU . 24.3 ttm -55.69 -49.64 72.44 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.427 0.632 . . . . 0.0 110.171 173.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' O ' HG13 ' A' ' 40' ' ' ILE . 90.7 mt -61.47 -38.09 79.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.183 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.41 82.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.016 0.436 . . . . 0.0 110.71 175.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.17 -36.2 89.72 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.259 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.469 HD22 HD21 ' B' ' 16' ' ' LEU . 77.8 m-20 -63.56 -41.42 98.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.972 0.415 . . . . 0.0 110.0 177.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 36' ' ' ILE . 72.5 mt -60.62 -52.37 62.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.643 177.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.37 -51.16 67.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.391 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.3 m -57.56 -48.72 78.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.33 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -59.79 -41.06 90.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.152 0.501 . . . . 0.0 111.202 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 54.5 t -65.56 -42.6 93.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.284 176.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.856 HD13 HD13 ' B' ' 69' ' ' LEU . 96.1 mt -63.91 -17.15 62.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 178.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -84.7 -62.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.988 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -109.6 -41.42 4.57 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 113.666 0.988 . . . . 0.0 113.666 -171.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 14.1 mmt85 -82.7 10.82 6.75 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -168.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG21 HG21 ' A' ' 57' ' ' ILE . 8.5 p -136.66 153.06 29.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.12 145.96 41.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.629 175.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -53.87 -42.19 68.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.996 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.2 t -76.62 -4.01 40.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.446 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' HB3' HG22 ' A' ' 49' ' ' VAL . 5.6 tp60 -111.47 -10.53 14.17 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.268 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 65.7 mtt-85 -50.55 -65.14 0.61 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 -171.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 tmtp? -71.2 -26.07 62.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.044 -174.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -71.71 -46.69 57.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.01 0.433 . . . . 0.0 109.935 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.531 HG21 HG21 ' A' ' 49' ' ' VAL . 13.4 tt -72.07 -26.82 25.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.161 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.52 -32.55 70.06 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.258 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.08 -43.69 91.36 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -54.72 -50.69 67.72 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.033 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -57.66 -54.4 47.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.056 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.542 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -63.26 -45.3 92.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.611 -176.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.07 -44.88 94.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.422 . . . . 0.0 110.385 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.9 85.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.449 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.7 tp -69.25 -38.31 78.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.555 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.542 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 31.3 mmt -64.07 -39.09 93.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.956 0.408 . . . . 0.0 110.272 177.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t -74.88 -28.51 60.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.583 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.2 m -88.03 2.46 51.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.296 0.57 . . . . 0.0 110.561 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 66' ' ' MET . 7.6 mt -74.35 85.0 1.95 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.151 174.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -80.12 89.37 5.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.967 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.589 ' HB ' ' HD2' ' B' ' 54' ' ' ARG . 5.4 t -129.45 119.64 19.5 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 121.257 0.551 . . . . 0.0 111.052 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 71' ' ' THR . 17.1 Cg_exo -68.55 94.17 0.43 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.833 2.355 . . . . 0.0 112.289 178.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.45 -44.88 0.55 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.623 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -145.29 162.28 37.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -131.77 7.74 4.45 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.932 0.396 . . . . 0.0 110.229 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.653 HD22 ' HB2' ' A' ' 79' ' ' HIS . 2.1 tt -95.22 125.14 39.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.861 -175.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -64.35 105.02 0.84 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.176 -176.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 58.4 t60 54.14 56.9 6.44 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.115 172.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.653 ' HB2' HD22 ' A' ' 76' ' ' LEU . 65.1 t60 -81.19 60.98 4.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.957 0.408 . . . . 0.0 111.461 -176.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 79' ' ' HIS . 3.7 p80 170.51 111.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.601 172.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -78.15 143.52 37.18 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.914 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -71.04 140.73 50.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.375 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.6 p80 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 119.089 -0.481 . . . . 0.0 110.033 178.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 85.4 mtp . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 110.654 -0.128 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -80.28 107.9 2.1 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.555 2.17 . . . . 0.0 111.814 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.6 ' H ' HD12 ' B' ' 3' ' ' ILE . 0.2 OUTLIER -98.45 -68.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.214 0.531 . . . . 0.0 110.965 -176.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 26.7 m -63.13 -71.89 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.072 -175.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 50.9 m -130.34 163.44 26.84 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -91.92 80.98 5.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.361 0.601 . . . . 0.0 110.474 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -92.48 175.03 6.98 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.334 173.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 79.3 m -60.27 122.6 14.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -54.02 -42.92 69.66 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.738 -176.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.654 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 1.6 tp10 -55.53 -54.29 45.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.593 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -51.93 -55.77 18.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.597 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 63.9 t -58.24 -49.11 82.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.155 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -58.55 -47.27 84.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.654 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 65.4 mmtt -69.2 -44.16 72.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.779 -174.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.402 ' O ' HG23 ' B' ' 19' ' ' VAL . 78.4 mt -64.43 -39.37 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.928 -177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.469 HD21 HD22 ' A' ' 39' ' ' ASN . 76.1 mt -61.11 -44.04 97.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.686 0.279 . . . . 0.0 110.574 176.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.12 -40.67 96.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.573 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.483 ' O ' HG23 ' B' ' 22' ' ' VAL . 5.9 mm-40 -57.67 -53.25 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.095 177.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 15' ' ' ILE . 99.3 t -61.19 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.978 -178.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.1 90.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -61.83 -41.42 97.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.414 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 18' ' ' GLU . 87.3 t -59.63 -40.89 83.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-O 120.949 0.404 . . . . 0.0 110.462 178.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.16 -38.31 87.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -73.21 -27.05 61.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -64.37 -24.99 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.138 0.494 . . . . 0.0 110.842 176.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -110.14 -3.52 16.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.481 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 51.69 50.98 17.59 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 123.7 0.625 . . . . 0.0 110.308 -174.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.99 138.24 56.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.483 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -73.94 158.0 86.42 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.304 177.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.485 ' O ' ' HB ' ' B' ' 33' ' ' THR . 51.5 Cg_exo -53.22 -50.82 12.65 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.143 2.562 . . . . 0.0 113.986 -175.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.464 ' OE2' HG22 ' A' ' 4' ' ' THR . 33.0 tt0 -69.92 -32.6 70.98 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.428 -178.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.467 ' O ' HG12 ' B' ' 36' ' ' ILE . 47.1 tp -63.2 -39.13 93.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.053 0.454 . . . . 0.0 109.996 174.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' B' ' 30' ' ' PRO . 72.3 m -56.66 -48.9 76.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.739 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 41' ' ' ALA . 0.6 OUTLIER -69.97 -30.55 67.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.289 -179.576 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.458 ' HE2' ' HB ' ' A' ' 4' ' ' THR . 44.1 ttm -61.76 -41.87 98.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.163 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 32' ' ' LEU . 40.3 mm -58.62 -47.95 87.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.796 175.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.88 -45.49 90.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.092 178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.17 -44.05 96.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 121.173 -0.536 . . . . 0.0 112.608 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -60.9 -41.77 96.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.332 0.111 . . . . 0.0 110.839 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.465 HG13 ' O ' ' B' ' 36' ' ' ILE . 88.8 mt -54.19 -56.38 9.96 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.309 176.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.12 -48.52 78.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.779 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 56.5 m -57.15 -41.33 78.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.937 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.409 ' N ' HD22 ' B' ' 43' ' ' ASN . 0.9 OUTLIER -73.75 -41.02 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.035 -178.577 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.01 -40.2 88.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 110.385 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 90.0 mt -66.1 -38.04 87.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.468 177.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.433 ' HB3' ' HG3' ' B' ' 47' ' ' GLN . 2.1 m-80 -69.59 -57.81 4.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.468 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.433 ' HG3' ' HB3' ' B' ' 46' ' ' ASN . 53.9 mt-30 -124.83 76.29 1.5 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.259 -171.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 30' ' ' PRO . 13.6 mtt85 173.81 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.19 0.931 . . . . 0.0 110.856 173.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.518 HG21 HG21 ' B' ' 57' ' ' ILE . 7.1 p -80.66 156.6 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.899 0.38 . . . . 0.0 110.579 -178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 146.33 50.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.27 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.11 77.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.113 0.482 . . . . 0.0 110.801 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.0 m -67.7 -28.69 67.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.469 ' HB3' HG22 ' B' ' 49' ' ' VAL . 23.8 tt0 -96.52 -6.11 37.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.205 -175.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.589 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 21.5 ttm180 -60.39 -60.37 3.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.88 -169.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -75.35 -27.17 59.09 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.601 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.54 -45.79 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.239 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.518 HG21 HG21 ' B' ' 49' ' ' VAL . 11.1 tt -72.71 -27.4 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.41 -40.69 70.32 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.343 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -60.25 -50.04 75.22 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.763 176.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -53.26 -48.7 68.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.543 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.82 -50.04 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.312 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.474 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -61.13 -47.17 87.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.305 -177.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -65.51 -38.98 91.28 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.2 98.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.99 0.424 . . . . 0.0 110.327 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 37.5 tp -62.41 -43.0 99.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.216 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 26.3 mmt -70.71 -19.21 62.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.172 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.5 m -79.03 -38.8 35.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.18 176.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 12.0 t -84.19 -14.63 49.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.465 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.856 HD13 HD13 ' A' ' 45' ' ' LEU . 54.6 tp -65.79 126.58 28.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.893 175.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -65.32 -86.09 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.071 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.4 HG22 ' HE2' ' B' ' 73' ' ' LYS . 15.4 m 54.23 81.02 0.27 Allowed Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.843 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -82.06 134.07 8.01 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.183 2.589 . . . . 0.0 112.235 -176.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.4 ' HE2' HG22 ' B' ' 71' ' ' THR . 75.2 mmtt -111.54 68.96 0.68 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.476 0.655 . . . . 0.0 109.51 177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.8 t -76.57 -21.77 55.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.053 -0.976 . . . . 0.0 111.235 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 6.9 t60 65.97 111.36 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.084 0.554 . . . . 0.0 111.527 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 76' ' ' LEU . 3.5 mm? -111.44 105.95 14.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.032 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -70.67 99.55 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 172.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 -122.22 28.88 7.25 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.469 -0.493 . . . . 0.0 111.895 -171.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -86.97 2.62 48.86 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.497 0.665 . . . . 0.0 109.967 176.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -81.27 -18.34 46.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 170.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' B' ' 82' ' ' HIS . 10.1 t60 -100.45 105.47 16.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.381 -1.281 . . . . 0.0 107.607 174.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' B' ' 81' ' ' HIS . 18.9 m80 72.12 95.3 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.763 0.664 . . . . 0.0 110.06 -167.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 25.1 p80 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.037 -179.262 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.6 mtp . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.574 0.226 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.84 124.39 8.06 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.129 1.886 . . . . 0.0 111.504 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HB ' ' HD2' ' A' ' 60' ' ' LYS . 39.2 pt -74.45 -34.67 36.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.978 0.418 . . . . 0.0 110.041 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.833 HG23 ' HB3' ' B' ' 31' ' ' GLU . 24.2 m -150.33 71.05 1.04 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.41 176.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 p 35.0 -100.0 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.412 0 O-C-N 124.329 1.018 . . . . 0.0 112.446 -174.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm 179.27 -48.73 0.01 OUTLIER 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 62.25 -178.69 0.13 Allowed 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.183 -176.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.414 HG23 ' H ' ' A' ' 11' ' ' GLN . 1.4 t -92.65 141.53 28.37 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.782 173.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.7 -27.28 69.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.274 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.0 -53.66 54.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.433 177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' H ' HG23 ' A' ' 8' ' ' THR . 51.2 tt0 -58.18 -49.47 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.528 -177.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.422 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 58.9 t -60.66 -51.04 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.016 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.06 -43.86 98.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 5.3 mptp? -66.37 -39.27 89.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.39 -176.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.9 mt -71.76 -39.54 68.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.594 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 12' ' ' VAL . 86.3 mt -58.81 -43.73 90.62 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 21' ' ' LEU . . . -58.46 -42.43 87.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.741 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.1 mm-40 -57.85 -53.19 60.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 59.0 t -60.29 -45.11 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.639 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.89 84.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.228 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 17' ' ' ALA . 48.7 mt -68.48 -35.76 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.928 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 18' ' ' GLU . 87.6 t -63.14 -42.62 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.267 0.556 . . . . 0.0 109.833 176.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 67.3 mt -65.57 -42.98 91.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.569 -0.742 . . . . 0.0 110.371 177.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -64.84 -48.32 74.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.542 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -65.1 -23.2 67.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.837 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -102.56 5.16 39.16 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.097 -0.241 . . . . 0.0 111.239 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.37 43.88 28.16 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.505 0.503 . . . . 0.0 111.554 178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.42 124.52 24.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.427 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.418 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 55.8 m -75.63 164.38 61.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.515 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.612 ' HB3' ' HB3' ' B' ' 48' ' ' ARG . 75.0 Cg_exo -50.71 -50.6 13.25 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 123.275 2.65 . . . . 0.0 113.553 -177.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HB2' ' OH ' ' B' ' 7' ' ' TYR . 1.9 mp0 -58.27 -46.78 85.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.819 -179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.458 HD11 HG22 ' B' ' 12' ' ' VAL . 61.4 tp -61.17 -47.75 84.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.448 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 23' ' ' LEU . 62.8 m -54.84 -49.98 69.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.265 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' B' ' 61' ' ' PHE . 7.4 tt -70.55 -33.08 70.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.572 -176.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.9 ttp -68.17 -33.04 73.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.158 0.504 . . . . 0.0 110.132 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 40' ' ' ILE . 39.0 mt -61.83 -41.77 91.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.418 174.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.3 -40.19 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.568 175.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.441 ' CA ' ' HE1' ' B' ' 61' ' ' PHE . . . -63.35 -42.0 99.28 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.042 176.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -61.01 -41.51 96.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.587 0.232 . . . . 0.0 110.483 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 36' ' ' ILE . 82.7 mt -57.72 -58.98 3.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.734 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -55.56 -46.2 77.19 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.59 -178.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -58.95 -51.16 71.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.54 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -63.35 -32.06 73.38 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.709 0.29 . . . . 0.0 111.454 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.601 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 88.3 t -69.24 -46.55 77.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.611 HD13 ' HG ' ' B' ' 69' ' ' LEU . 96.0 mt -59.15 -32.03 69.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 177.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -67.95 -67.91 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.403 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -134.06 23.69 3.87 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -166.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.601 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 38.8 mtp85 -142.72 29.24 1.55 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.897 0.379 . . . . 0.0 111.272 176.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 45' ' ' LEU . 4.1 p -151.05 158.35 4.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.685 177.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 54' ' ' ARG . . . -75.17 140.6 43.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.538 177.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.03 -42.82 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.315 0.384 . . . . 0.0 111.208 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 m -70.61 -23.5 62.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.134 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.726 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.1 OUTLIER -87.52 -24.25 24.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.937 -177.598 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 50' ' ' ALA . 93.6 mtt180 -46.12 -53.34 10.54 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -172.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -72.74 -40.63 65.9 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.365 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 56' ' ' LEU . 4.2 mt -63.39 -47.19 83.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.717 0.294 . . . . 0.0 111.391 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 16.1 tt -70.26 -28.26 34.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.643 -175.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -46.29 58.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.648 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.65 -44.64 93.22 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' HD2' ' HB ' ' A' ' 3' ' ' ILE . 36.0 ttpt -55.31 -46.25 76.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.467 176.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.514 ' HB2' HD21 ' B' ' 34' ' ' LEU . 85.0 t80 -59.3 -53.3 59.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.886 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -61.01 -43.7 98.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.247 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.14 -48.08 83.22 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.97 -37.02 85.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.781 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -67.47 -38.93 85.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.605 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.8 mmt -75.15 -32.03 61.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.707 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.2 p -79.28 -9.97 59.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.105 0.479 . . . . 0.0 110.441 179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.6 m -110.99 7.91 21.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.196 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.6 tp -81.9 98.86 8.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.918 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.92 98.5 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.45 0.643 . . . . 0.0 111.33 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.456 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 16.4 m -91.1 128.7 46.56 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.237 -0.892 . . . . 0.0 108.911 175.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 71' ' ' THR . 15.9 Cg_exo -69.38 49.07 0.61 Allowed 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.254 2.636 . . . . 0.0 114.475 -173.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -87.32 76.22 9.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.629 0.728 . . . . 0.0 109.402 172.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.4 p -75.75 -16.1 60.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.087 -173.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.408 ' CD2' ' HG2' ' A' ' 77' ' ' GLU . 9.4 t60 73.53 -6.92 1.66 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.61 0.569 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 39.1 tp 68.84 -67.5 0.21 Allowed 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.675 0.79 . . . . 0.0 110.357 -174.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.408 ' HG2' ' CD2' ' A' ' 75' ' ' HIS . 21.8 mm-40 59.78 -165.69 0.2 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.919 0.866 . . . . 0.0 112.387 175.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -122.22 116.45 24.16 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.418 -1.264 . . . . 0.0 108.167 170.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -83.16 -14.29 53.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.158 -165.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -87.12 83.35 7.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.501 0.667 . . . . 0.0 110.971 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -116.88 -3.49 11.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.452 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 66.53 -76.06 0.05 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.807 -174.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.407 173.248 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -81.23 114.39 2.8 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.26 1.973 . . . . 0.0 111.904 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.7 tt -62.99 122.24 13.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.85 0.357 . . . . 0.0 110.415 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 28.2 m 65.04 83.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.586 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.6 p -104.48 -169.56 1.64 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.153 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -76.47 -19.58 57.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 175.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.493 ' OH ' ' HB2' ' A' ' 31' ' ' GLU . 91.1 m-85 55.72 -151.95 0.38 Allowed 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -171.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.401 ' H ' ' HB3' ' B' ' 7' ' ' TYR . 91.6 m -80.24 109.77 15.03 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 167.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -55.84 -42.51 75.87 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.914 -173.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.16 -37.56 80.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.655 0.264 . . . . 0.0 110.753 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.531 ' O ' HG13 ' B' ' 15' ' ' ILE . 28.5 tt0 -63.75 -50.08 70.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.922 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 32' ' ' LEU . 52.7 t -58.42 -45.6 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.265 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -54.86 -44.28 73.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.215 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.3 -39.19 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.505 -177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.531 HG13 ' O ' ' B' ' 11' ' ' GLN . 64.4 mt -62.51 -46.07 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.93 -40.05 87.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.43 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.87 -49.59 77.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.035 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.472 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.2 mt-10 -66.05 -47.15 75.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.233 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.549 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 74.8 t -59.68 -46.84 92.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.678 0.275 . . . . 0.0 110.854 179.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.43 -32.82 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.822 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.3 tp -68.06 -40.58 82.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.199 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 18' ' ' GLU . 78.5 t -59.31 -41.05 82.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.039 0.447 . . . . 0.0 110.257 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.572 HD13 HG23 ' B' ' 33' ' ' THR . 64.0 mt -61.01 -47.99 83.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.116 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -65.15 -49.71 68.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.745 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -56.14 -36.92 68.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.77 -179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -92.88 2.17 56.91 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.26 49.32 15.5 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.19 0.519 . . . . 0.0 111.064 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -73.99 125.53 28.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.851 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 29.0 p -71.42 157.87 89.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.428 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.55 -41.4 60.82 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.956 2.437 . . . . 0.0 112.162 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.833 ' HB3' HG23 ' A' ' 4' ' ' THR . 4.9 mp0 -56.91 -50.59 72.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.171 177.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.405 ' O ' HG13 ' B' ' 36' ' ' ILE . 59.2 tp -66.41 -47.55 72.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.457 -177.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.572 HG23 HD13 ' B' ' 23' ' ' LEU . 87.0 m -52.47 -51.86 57.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.674 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 61' ' ' PHE . 4.3 tt -72.41 -31.3 65.4 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.82 -174.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.7 ttp -71.16 -34.05 70.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.405 HG13 ' O ' ' B' ' 32' ' ' LEU . 49.4 mt -60.8 -44.23 97.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.236 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.09 -40.41 76.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.088 0.471 . . . . 0.0 110.54 177.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.69 -38.71 93.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.369 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -66.01 -41.49 90.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.536 ' O ' HG23 ' B' ' 44' ' ' VAL . 1.5 mp -56.36 -51.1 68.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.15 174.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.587 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.09 -43.89 91.87 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.586 0.231 . . . . 0.0 110.752 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 45.2 m -60.74 -44.64 96.43 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.171 0.51 . . . . 0.0 110.848 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -66.13 -35.14 79.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.125 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.727 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 72.8 t -65.47 -45.63 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.99 174.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 90.0 mt -61.83 -21.47 64.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -96.78 -55.45 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.409 ' O ' ' HD2' ' B' ' 48' ' ' ARG . 74.5 mt-30 -110.11 10.47 23.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.723 0.297 . . . . 0.0 111.785 -166.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.727 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 7.6 mpt_? -129.23 -51.03 1.2 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.956 0.408 . . . . 0.0 111.662 -174.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.685 HG22 ' HB3' ' B' ' 53' ' ' GLN . 4.2 p -86.48 158.69 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.335 -172.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.05 155.14 27.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.404 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.86 88.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.776 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 6.4 m -74.7 -11.68 60.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.185 0.517 . . . . 0.0 111.08 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.685 ' HB3' HG22 ' B' ' 49' ' ' VAL . 6.0 tp-100 -99.81 -4.29 30.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.193 -177.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -55.0 -62.77 1.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.612 -170.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 10.3 tmtt? -78.86 -31.52 45.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.116 -172.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.16 -50.01 72.04 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.551 HG21 HG21 ' B' ' 49' ' ' VAL . 12.8 tt -67.44 -33.41 62.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 -177.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.76 -43.4 79.93 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.383 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.72 -48.45 80.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.07 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -56.73 -39.4 73.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.457 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.483 ' HB2' HD21 ' A' ' 34' ' ' LEU . 48.5 t80 -69.23 -53.37 20.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.877 179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.38 -43.38 92.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.397 -177.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -64.21 -40.34 95.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.654 -178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.81 -38.9 87.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.423 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.03 -40.29 94.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.29 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.502 ' HE2' ' HA ' ' B' ' 66' ' ' MET . 28.4 mmt -63.12 -40.52 97.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.984 0.421 . . . . 0.0 110.432 176.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 30.4 t -71.03 -19.43 62.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.085 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 29.0 m -99.59 -2.92 34.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.023 0.44 . . . . 0.0 111.035 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.611 ' HG ' HD13 ' A' ' 45' ' ' LEU . 2.8 tt -81.32 102.53 10.48 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -79.5 82.87 5.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.408 0.623 . . . . 0.0 110.551 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' B' ' 72' ' ' PRO . 8.8 t -73.14 140.27 79.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.173 178.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 71' ' ' THR . 34.2 Cg_exo -61.76 105.57 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.686 2.258 . . . . 0.0 111.612 178.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.437 ' HD2' ' HA ' ' B' ' 73' ' ' LYS . 30.1 mmmt -109.72 -178.16 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.24 -178.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.37 26.34 1.97 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -171.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -85.72 143.04 28.58 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 88.2 mt -69.38 124.6 24.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.3 78.84 2.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.229 0.537 . . . . 0.0 109.877 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -170.55 27.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.329 -0.851 . . . . 0.0 108.765 176.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 32.8 m80 -141.26 113.41 7.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.457 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -141.69 135.24 29.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.415 0.626 . . . . 0.0 111.853 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -138.5 145.73 41.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.408 174.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -93.0 157.42 16.32 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.512 -0.756 . . . . 0.0 109.775 -179.047 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -62.12 117.55 4.4 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.627 2.218 . . . . 0.0 112.192 178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 pt -98.53 94.89 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.9 m 71.98 145.73 0.07 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.191 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 m -60.88 113.34 2.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.16 0.505 . . . . 0.0 111.334 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -73.22 90.85 1.62 Allowed 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.913 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.444 ' HB3' ' OE1' ' A' ' 11' ' ' GLN . 82.5 m-85 -76.94 -172.96 2.51 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.855 172.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.443 ' OG1' ' HB2' ' A' ' 11' ' ' GLN . 49.7 p -77.18 143.05 39.33 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.41 -0.516 . . . . 0.0 109.747 178.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -60.35 -36.03 77.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.377 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.59 -42.15 98.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.047 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.444 ' OE1' ' HB3' ' A' ' 7' ' ' TYR . 52.9 tt0 -57.99 -52.56 65.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.337 0.589 . . . . 0.0 110.21 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.41 -42.98 94.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.365 178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -54.05 -45.0 71.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.245 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -69.17 -42.63 75.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.068 -177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 19' ' ' VAL . 50.5 mt -67.37 -44.27 87.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.107 179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.568 HD23 HG23 ' B' ' 36' ' ' ILE . 47.1 mt -57.86 -43.72 86.14 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.838 176.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.16 -44.48 83.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.182 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -72.41 -36.22 68.58 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.575 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' ILE . 88.4 t -64.18 -46.22 94.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.029 0.442 . . . . 0.0 110.265 176.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.78 -34.21 77.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.542 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.583 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 8.0 tt -61.44 -40.31 94.0 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.004 178.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.744 ' HA ' ' HE2' ' A' ' 25' ' ' LYS . 75.9 t -61.55 -48.43 88.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 121.108 0.48 . . . . 0.0 110.467 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD13 HG23 ' A' ' 33' ' ' THR . 62.6 mt -63.7 -33.83 76.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.533 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.83 -48.34 71.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.119 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.744 ' HE2' ' HA ' ' A' ' 22' ' ' VAL . 45.6 mtmt -56.69 -37.02 70.31 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.912 0.387 . . . . 0.0 111.52 -179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 22' ' ' VAL . 89.0 m-70 -93.33 -3.24 53.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.404 -175.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.09 46.96 22.98 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.533 0.521 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.12 130.66 44.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.721 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 24.9 m -79.13 159.88 72.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.074 176.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 1.3 Cg_endo -45.75 -47.38 13.86 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.627 2.885 . . . . 0.0 114.276 -176.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.9 -41.36 99.4 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.951 0.405 . . . . 0.0 110.324 -179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.559 ' O ' HG12 ' A' ' 36' ' ' ILE . 37.3 tp -69.32 -29.12 66.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.478 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.507 HG23 HD13 ' A' ' 23' ' ' LEU . 17.6 m -64.08 -47.44 80.09 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.025 0.44 . . . . 0.0 110.255 177.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' B' ' 61' ' ' PHE . 6.6 mp -76.77 -20.72 56.14 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.913 177.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.465 ' HB3' ' O ' ' A' ' 32' ' ' LEU . 41.5 tpp -57.85 -48.67 79.12 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 172.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.64 ' O ' HG12 ' A' ' 40' ' ' ILE . 38.1 mm -63.04 -53.66 43.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.143 -0.935 . . . . 0.0 110.514 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.48 -45.4 91.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.772 -177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.41 -47.69 74.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.521 175.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -62.91 -33.56 75.57 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.519 0.199 . . . . 0.0 110.951 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.64 HG12 ' O ' ' A' ' 36' ' ' ILE . 49.1 mm -58.99 -54.24 36.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.75 89.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.101 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.4 m -58.82 -47.28 85.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.815 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.5 -34.35 76.7 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.612 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.75 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 90.7 t -64.17 -46.66 92.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 174.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' O ' ' HD3' ' A' ' 54' ' ' ARG . 94.5 mt -65.27 -23.57 67.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.943 0.402 . . . . 0.0 111.064 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -78.96 -51.05 10.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.851 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -134.19 -10.33 2.58 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -170.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.75 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 48.3 mtt180 -111.22 19.53 18.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.918 -0.489 . . . . 0.0 112.148 -171.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.662 HG22 ' H ' ' A' ' 50' ' ' ALA . 5.1 p -148.54 175.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.867 -176.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.662 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.79 148.13 23.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.883 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.35 -60.01 3.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.414 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.2 m -69.23 -19.5 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.972 0.415 . . . . 0.0 111.274 -176.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.749 ' HG3' HG12 ' A' ' 57' ' ' ILE . 12.5 tp60 -88.07 -18.15 29.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 -175.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' A' ' 45' ' ' LEU . 10.8 mtm-85 -51.09 -51.18 55.91 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -173.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -61.36 -45.41 94.51 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.195 -0.202 . . . . 0.0 111.193 -176.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.555 ' HB3' HE21 ' A' ' 53' ' ' GLN . 9.3 tt -68.82 -36.06 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.08 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.749 HG12 ' HG3' ' A' ' 53' ' ' GLN . 12.6 mm -62.36 -46.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.827 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.78 88.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.919 0.39 . . . . 0.0 110.653 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -61.47 -50.35 73.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.97 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.84 -35.84 81.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.398 -178.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.468 ' HB2' HD21 ' B' ' 34' ' ' LEU . 62.4 t80 -66.91 -51.31 56.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.765 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.17 -39.52 92.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.108 0.48 . . . . 0.0 110.844 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -66.63 -36.37 82.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.075 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.3 89.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.45 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.2 -48.33 82.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.123 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 21.9 mmt -72.68 -30.04 63.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.17 -176.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 m -80.02 -33.23 39.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.95 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 35.4 m -93.73 10.15 34.15 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.933 0.397 . . . . 0.0 110.479 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.9 tp -66.47 92.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.597 -178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -81.34 96.28 7.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.479 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.1 p -75.88 144.13 75.69 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.945 174.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -56.11 106.1 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.061 2.508 . . . . 0.0 113.002 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -99.48 121.32 40.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.912 178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.0 p -78.45 70.95 4.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.04 0.448 . . . . 0.0 111.757 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -101.5 -7.36 22.89 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 170.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.0 mt -79.31 98.99 6.9 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.732 -1.122 . . . . 0.0 108.204 173.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.623 ' HB3' ' HB2' ' A' ' 81' ' ' HIS . 50.6 mt-10 -102.99 15.29 29.81 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -167.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -77.98 52.95 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.613 0.721 . . . . 0.0 109.492 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -143.0 -63.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.896 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -106.52 -17.84 14.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -176.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 77' ' ' GLU . 3.9 t-160 -79.8 50.72 1.21 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.301 0.572 . . . . 0.0 109.953 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -159.75 97.9 1.33 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.339 -176.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.07 -51.17 10.11 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.554 2.17 . . . . 0.0 111.555 176.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.767 HG13 ' H ' ' B' ' 4' ' ' THR . 3.7 pt -144.75 -81.36 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.609 176.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.767 ' H ' HG13 ' B' ' 3' ' ' ILE . 12.2 m -83.91 -53.7 5.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.16 0.505 . . . . 0.0 110.009 177.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t -156.63 -177.0 6.28 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.562 ' HG3' ' N ' ' B' ' 7' ' ' TYR . 50.4 pttt -98.18 -51.7 3.92 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.539 177.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.562 ' N ' ' HG3' ' B' ' 6' ' ' LYS . 30.4 m-85 53.26 -167.42 0.06 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.479 0.657 . . . . 0.0 112.309 -176.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 14.8 m -99.85 124.77 45.49 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.874 177.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -57.98 -38.59 76.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.723 -175.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' B' ' 14' ' ' LYS . 41.6 mt-10 -54.85 -56.2 22.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.176 0.512 . . . . 0.0 110.671 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.492 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.6 tp-100 -58.35 -47.41 83.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.72 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.93 -47.61 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.442 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -58.14 -47.23 83.97 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.972 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 10' ' ' GLU . 4.9 mptp? -69.63 -33.75 73.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.513 -175.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.492 HG13 ' O ' ' B' ' 11' ' ' GLN . 69.7 mt -68.88 -46.86 78.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.291 176.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.553 HD23 HG23 ' A' ' 36' ' ' ILE . 75.7 mt -57.03 -40.94 77.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.525 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.08 -45.27 87.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.297 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.466 ' O ' HG23 ' B' ' 22' ' ' VAL . 24.7 mt-10 -72.65 -39.45 67.14 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.531 -178.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.636 HG21 HG21 ' A' ' 36' ' ' ILE . 98.2 t -62.81 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.184 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.43 -33.37 75.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.44 -40.11 95.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.267 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 18' ' ' GLU . 90.1 t -63.21 -42.89 98.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 121.157 0.503 . . . . 0.0 110.204 177.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.484 HD13 HG23 ' B' ' 33' ' ' THR . 68.4 mt -62.92 -45.36 92.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.196 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.73 -40.68 97.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.637 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -65.05 -21.0 66.76 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.571 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -109.15 -0.11 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.424 176.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.82 49.52 20.08 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.809 -175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.62 126.51 29.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.77 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 72.9 p -75.68 161.07 77.58 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.081 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -44.83 -48.52 10.58 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.446 2.764 . . . . 0.0 113.76 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.555 ' H ' ' CD ' ' B' ' 31' ' ' GLU . 1.9 mp0 -56.94 -50.53 72.31 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.231 0.538 . . . . 0.0 110.078 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 51.6 tp -65.24 -44.39 88.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.112 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.484 HG23 HD13 ' B' ' 23' ' ' LEU . 99.1 m -53.02 -53.88 43.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.487 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 61' ' ' PHE . 8.1 tt -71.01 -36.41 72.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.936 -174.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 29.2 ttp -64.58 -41.8 96.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.682 177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.568 HG23 HD23 ' A' ' 16' ' ' LEU . 52.2 mt -57.83 -44.84 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 177.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.5 -31.83 70.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.623 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.92 -43.86 92.93 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.017 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -60.51 -40.32 90.98 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.552 HG12 ' O ' ' B' ' 36' ' ' ILE . 42.5 mm -57.95 -59.29 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.673 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -59.07 -48.89 79.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.254 -177.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 50.5 m -59.71 -46.81 87.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.379 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' B' ' 47' ' ' GLN . 4.0 t-20 -60.41 -41.38 93.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.053 0.454 . . . . 0.0 110.638 -178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.613 HG13 ' HB2' ' B' ' 48' ' ' ARG . 45.3 t -65.89 -40.96 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.606 176.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 93.5 mt -60.32 -22.16 62.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.481 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -85.24 -52.37 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.487 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' B' ' 43' ' ' ASN . 3.4 pp0? -125.15 -8.04 7.09 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 115.487 1.662 . . . . 0.0 115.487 -166.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.613 ' HB2' HG13 ' B' ' 44' ' ' VAL . 4.4 mmp_? -110.53 -43.47 3.86 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.447 -176.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.59 HG21 HG21 ' B' ' 57' ' ' ILE . 9.6 p -71.27 157.78 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.607 0.241 . . . . 0.0 110.461 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.53 139.51 58.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.842 0.353 . . . . 0.0 111.012 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.537 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . . . -61.21 -30.6 70.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.79 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.4 t -90.3 5.37 47.52 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.719 0.295 . . . . 0.0 110.957 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -124.57 6.08 8.25 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.041 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.537 ' NE ' ' HA ' ' B' ' 51' ' ' ALA . 21.3 mmt180 -55.32 -69.21 0.14 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.19 0.519 . . . . 0.0 111.978 -172.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -69.53 -32.96 72.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.748 -172.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -64.19 -46.29 84.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.263 -178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.59 HG21 HG21 ' B' ' 49' ' ' VAL . 11.7 tt -71.98 -29.68 34.02 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.535 -177.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.5 -34.46 77.98 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.985 0.421 . . . . 0.0 110.055 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -63.51 -45.35 91.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.555 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.429 ' HA ' ' HB3' ' B' ' 63' ' ' GLN . 22.3 mtpp -68.26 -31.86 71.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.355 179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.466 ' CD1' HD23 ' A' ' 34' ' ' LEU . 88.5 t80 -64.86 -49.37 70.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.995 0.426 . . . . 0.0 110.138 176.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -63.96 -38.99 93.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.94 176.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . 0.429 ' HB3' ' HA ' ' B' ' 60' ' ' LYS . 29.5 tt0 -53.09 -48.3 67.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.461 173.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.36 -45.12 76.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.823 0.344 . . . . 0.0 110.799 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.91 -47.3 81.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.525 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 21.4 mmt -69.05 -30.81 69.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.124 0.488 . . . . 0.0 110.804 -178.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 63.3 m -78.99 -18.46 53.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.049 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 38.9 p -107.33 6.46 28.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.023 0.44 . . . . 0.0 110.491 176.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 tp -76.15 88.5 3.04 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.965 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.451 ' O ' ' HD3' ' B' ' 72' ' ' PRO . 40.2 mt-10 -71.98 105.95 4.08 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.542 -178.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 17.4 m -96.99 99.42 5.88 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.701 176.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . 0.598 ' HA ' ' HA ' ' B' ' 76' ' ' LEU . 84.4 Cg_endo -80.89 32.67 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.934 2.422 . . . . 0.0 113.754 -170.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.43 ' HD3' ' HA ' ' B' ' 73' ' ' LYS . 32.5 mmtp -93.1 -12.6 30.06 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 3.3 p -100.8 46.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.37 176.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 4.3 t60 56.77 60.76 2.9 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -172.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.598 ' HA ' ' HA ' ' B' ' 72' ' ' PRO . 46.4 tp 60.38 -94.56 0.05 OUTLIER 'General case' 0 N--CA 1.458 -0.035 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -165.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.621 ' HB3' ' HB2' ' B' ' 82' ' ' HIS . 31.5 tt0 -154.41 77.28 1.06 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.752 0.787 . . . . 0.0 108.956 169.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -85.98 -6.6 59.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.42 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -72.32 100.38 2.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.677 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.48 ' O ' ' HB2' ' B' ' 81' ' ' HIS . 30.3 t-80 64.67 24.73 12.99 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.879 176.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' B' ' 80' ' ' HIS . 10.2 m-70 70.79 135.92 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.556 0.693 . . . . 0.0 112.093 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . 0.621 ' HB2' ' HB3' ' B' ' 77' ' ' GLU . 83.5 t60 -91.42 -19.69 22.6 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 167.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 84.9 t60 . . . . . 0 C--O 1.253 1.264 0 CA-C-N 114.428 -1.26 . . . . 0.0 108.835 177.126 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.5 mtm . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.57 135.82 37.39 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.682 2.254 . . . . 0.0 112.306 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.9 pt -82.77 166.4 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.73 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.775 HG22 ' H ' ' A' ' 5' ' ' SER . 1.8 m 62.65 -168.44 0.2 Allowed 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -176.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.775 ' H ' HG22 ' A' ' 4' ' ' THR . 4.3 m -76.82 -12.82 60.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.06 -0.4 . . . . 0.0 110.508 176.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 5' ' ' SER . 20.5 pttp 59.75 -36.7 0.07 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.152 1.781 . . . . 0.0 113.491 -177.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 92.7 m-85 64.0 -160.55 0.29 Allowed 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 111.824 174.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -85.82 123.96 31.78 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.969 179.206 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.4 -46.49 66.32 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.237 -175.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.8 mm-40 -59.02 -55.23 37.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.642 -178.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.536 ' O ' HG13 ' A' ' 15' ' ' ILE . 49.6 mt-30 -55.36 -51.21 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.06 0.225 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 8' ' ' THR . 58.1 t -57.47 -52.09 61.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.058 0.456 . . . . 0.0 111.463 -178.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -67.66 -39.15 84.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.773 -174.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.51 ' HA ' ' HD3' ' A' ' 14' ' ' LYS . 17.3 mmtp -77.21 -23.69 51.4 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.936 -176.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 11' ' ' GLN . 66.2 mt -64.58 -46.81 91.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 169.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.449 HD23 HG23 ' B' ' 36' ' ' ILE . 91.3 mt -58.63 -38.09 77.31 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.552 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.75 -49.32 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.27 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 32.3 mt-10 -64.57 -42.68 95.5 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 121.004 -0.279 . . . . 0.0 110.997 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 94.3 t -59.8 -47.72 90.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.995 0.426 . . . . 0.0 110.731 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.43 -33.22 75.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.727 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tt -64.22 -41.98 96.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.061 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 18' ' ' GLU . 58.3 t -64.05 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 110.192 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 75.9 mt -63.96 -46.07 86.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.501 178.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -60.85 -48.45 81.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.698 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -56.89 -41.31 77.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.557 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -91.74 2.57 56.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.297 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.47 47.09 23.58 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.631 0.582 . . . . 0.0 111.089 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 125.88 26.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.82 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 m -64.36 159.98 54.31 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.511 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.529 ' O ' ' HB ' ' A' ' 33' ' ' THR . 67.0 Cg_exo -51.91 -56.72 2.67 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.965 2.444 . . . . 0.0 114.001 -176.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.88 -34.46 77.85 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.66 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' O ' ' HG3' ' A' ' 35' ' ' MET . 48.5 tp -60.21 -40.0 88.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.148 0.499 . . . . 0.0 109.957 174.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' ' 30' ' ' PRO . 49.0 m -58.52 -47.04 85.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.808 174.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' B' ' 61' ' ' PHE . 7.1 tt -74.55 -36.98 63.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.47 -174.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.566 ' HG3' ' O ' ' A' ' 32' ' ' LEU . 5.2 ppp? -66.22 -32.38 73.78 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.485 ' O ' HG13 ' A' ' 40' ' ' ILE . 27.4 mt -65.38 -41.82 92.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.428 175.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.9 81.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.972 0.415 . . . . 0.0 110.117 174.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.77 -44.02 96.87 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.94 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -58.34 -40.88 83.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.794 0.331 . . . . 0.0 110.521 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 44' ' ' VAL . 77.5 mt -59.33 -54.1 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.479 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -59.07 -39.61 82.65 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.914 179.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 84.9 m -57.68 -48.28 79.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.064 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -62.62 -43.95 97.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.809 0.338 . . . . 0.0 110.102 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.537 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 59.7 t -59.25 -48.94 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.718 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 96.7 mt -67.21 -19.6 65.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.91 -177.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -99.27 -42.05 7.19 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -117.75 -13.23 10.17 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -172.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.537 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 9.2 mmm180 -119.37 13.15 12.65 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -171.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.564 HG21 HG21 ' A' ' 57' ' ' ILE . 5.4 p -138.74 161.89 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.558 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -74.72 139.71 43.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.611 178.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -44.4 69.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.755 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.8 m -64.65 -25.19 67.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.302 0.572 . . . . 0.0 111.206 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -102.86 1.33 33.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.537 -173.449 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.596 ' HG2' HD11 ' B' ' 69' ' ' LEU . 43.8 ttm-85 -60.61 -66.85 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.659 -0.7 . . . . 0.0 112.087 -168.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -77.18 -22.76 51.96 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.471 -176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.78 -53.91 47.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 49' ' ' VAL . 11.7 tt -68.39 -28.84 42.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.464 -176.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.08 -44.27 72.85 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.628 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.49 -42.41 87.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.645 179.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -57.81 -39.39 77.46 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.701 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.543 ' HE2' ' HE1' ' B' ' 61' ' ' PHE . 40.1 t80 -66.39 -47.64 72.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.145 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.82 -40.35 79.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.242 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.71 -44.15 96.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.062 0.458 . . . . 0.0 110.576 177.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.26 89.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.88 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.8 tp -67.34 -30.64 70.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.121 0.486 . . . . 0.0 110.598 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -30.37 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.793 177.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 p -82.82 -18.85 39.03 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.787 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 49.7 p -93.03 -4.81 51.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.292 0.568 . . . . 0.0 110.461 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tt -74.38 107.75 6.73 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.223 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.408 ' HA ' ' OE1' ' A' ' 70' ' ' GLU . 3.7 mm-40 -89.81 130.51 36.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.724 0.773 . . . . 0.0 111.969 -178.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.529 ' HB ' ' HD2' ' A' ' 72' ' ' PRO . 10.7 p -108.35 178.01 1.15 Allowed Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 114.744 -1.116 . . . . 0.0 109.712 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.529 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 29.0 Cg_exo -62.61 91.1 0.13 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.922 1.748 . . . . 0.0 111.678 174.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -102.63 12.24 36.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.591 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t -117.89 -164.68 1.03 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.739 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 78.17 -9.52 1.5 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.686 0.794 . . . . 0.0 111.562 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.07 1.35 50.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.737 0.304 . . . . 0.0 111.25 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -100.95 -34.03 9.95 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.872 0.368 . . . . 0.0 110.734 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -82.29 100.82 10.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.198 0.523 . . . . 0.0 110.38 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -133.28 124.26 26.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.738 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -81.48 -24.46 36.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 172.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -125.85 112.01 15.51 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.611 174.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -74.9 153.27 38.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.728 0.299 . . . . 0.0 110.258 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.479 176.511 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.47 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 27.7 Cg_exo -62.54 143.31 92.71 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 123.007 2.471 . . . . 0.0 112.814 -177.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 pt -85.28 176.35 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.479 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -63.9 136.37 57.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.949 0.404 . . . . 0.0 110.251 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -156.25 -120.43 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' B' ' 6' ' ' LYS . 52.6 tttm 62.43 19.37 11.09 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.813 0.816 . . . . 0.0 110.102 -174.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.476 ' CD2' HD13 ' A' ' 32' ' ' LEU . 31.2 m-85 -108.72 24.47 13.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.263 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 13.7 p 60.76 129.82 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 111.115 -169.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -63.5 -34.97 78.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.34 0.591 . . . . 0.0 109.614 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -62.22 -51.52 67.44 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.721 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.567 ' O ' HG13 ' B' ' 15' ' ' ILE . 9.6 tt0 -58.28 -48.89 79.03 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.692 0.282 . . . . 0.0 110.558 -178.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.424 HG22 HD11 ' A' ' 32' ' ' LEU . 86.5 t -59.44 -48.35 87.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.56 -47.65 69.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.944 178.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -65.65 -41.85 92.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.365 -178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.567 HG13 ' O ' ' B' ' 11' ' ' GLN . 70.4 mt -62.12 -48.55 87.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.717 0.294 . . . . 0.0 110.423 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.454 HD23 HG23 ' A' ' 36' ' ' ILE . 90.7 mt -56.69 -43.94 81.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -58.93 -44.34 91.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.288 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.56 -42.03 78.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.806 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.427 HG13 HG22 ' A' ' 19' ' ' VAL . 89.7 t -63.48 -40.92 90.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.951 0.405 . . . . 0.0 110.777 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.17 94.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 81.9 mt -66.65 -28.86 68.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.6 -50.6 79.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.208 0.527 . . . . 0.0 109.939 174.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.635 HD13 HG23 ' B' ' 33' ' ' THR . 50.7 mt -63.27 -44.78 94.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.185 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -59.94 -45.34 92.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.937 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -61.37 -36.71 80.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.617 -176.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -88.26 1.14 55.16 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.124 -0.23 . . . . 0.0 111.203 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.41 45.63 16.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.297 0.57 . . . . 0.0 110.507 -177.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.89 130.37 42.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.434 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 20.3 m -68.38 157.91 86.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.401 177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.56 -50.4 13.53 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.73 2.287 . . . . 0.0 112.612 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.429 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 1.7 mp0 -58.52 -46.43 86.76 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.881 0.372 . . . . 0.0 110.205 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.57 ' O ' HG12 ' B' ' 36' ' ' ILE . 44.9 tp -58.7 -44.33 90.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.685 178.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.635 HG23 HD13 ' B' ' 23' ' ' LEU . 46.5 m -57.07 -51.63 68.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.665 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.425 ' HB2' HG11 ' A' ' 44' ' ' VAL . 6.6 tt -69.5 -28.79 66.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.236 -177.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 33.7 ttp -72.01 -31.11 65.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.223 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.57 HG12 ' O ' ' B' ' 32' ' ' LEU . 30.1 mm -59.05 -45.66 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 172.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.52 -41.25 85.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.561 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.21 -40.03 97.63 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.283 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -61.16 -42.61 98.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.49 ' O ' HG23 ' B' ' 44' ' ' VAL . 70.0 mt -59.59 -54.47 34.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.423 177.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -56.71 -44.37 81.49 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.34 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 90.1 m -62.78 -42.2 99.59 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 120.707 0.289 . . . . 0.0 110.811 179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -58.91 -41.88 88.32 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.12 0.486 . . . . 0.0 110.221 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.505 HG13 ' HB2' ' B' ' 48' ' ' ARG . 59.4 t -64.09 -44.75 97.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.152 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 97.9 mt -66.17 -17.33 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.428 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.98 -56.54 3.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.469 178.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -114.72 -32.35 5.86 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -170.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.505 ' HB2' HG13 ' B' ' 44' ' ' VAL . 45.4 mtt-85 -102.74 23.51 11.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -164.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.563 HG21 HG21 ' B' ' 57' ' ' ILE . 6.0 p -147.06 150.7 14.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 C-N-CA 120.404 -0.518 . . . . 0.0 111.417 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.12 145.76 47.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.208 174.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.27 89.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.858 0.361 . . . . 0.0 110.986 175.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 21.8 m -72.54 -14.31 61.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -101.84 -8.42 21.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.276 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.459 ' HE ' HG13 ' B' ' 49' ' ' VAL . 16.9 ttm180 -64.01 -52.94 57.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.409 -166.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -76.76 -29.33 56.07 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.143 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' B' ' 60' ' ' LYS . 67.4 mt -64.35 -49.58 71.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.045 177.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.563 HG21 HG21 ' B' ' 49' ' ' VAL . 10.2 tt -69.17 -28.23 38.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.264 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.42 74.94 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.222 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -66.66 -47.25 73.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.806 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' B' ' 56' ' ' LEU . 57.7 mtpt -51.86 -48.21 64.11 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.289 174.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.543 ' HE1' ' HE2' ' A' ' 61' ' ' PHE . 60.9 t80 -54.03 -58.22 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.779 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.08 -46.97 82.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.944 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -67.86 -45.02 75.77 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.471 -176.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.89 85.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.227 0.537 . . . . 0.0 110.416 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 tp -60.8 -48.87 79.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.851 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.477 ' HA ' ' HB2' ' B' ' 69' ' ' LEU . 65.1 mtt -83.76 -11.6 56.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.62 -175.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.6 t -81.1 -26.68 36.02 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 172.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 16.2 m -98.47 9.18 43.74 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.166 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.596 HD11 ' HG2' ' A' ' 54' ' ' ARG . 33.8 tp -78.3 113.9 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.462 178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -76.35 97.38 4.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.177 0.513 . . . . 0.0 110.465 -178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 21.6 p -115.51 97.97 49.75 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.991 175.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.87 99.34 0.39 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 122.669 2.246 . . . . 0.0 111.622 179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -120.29 149.53 42.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.408 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.504 ' HB ' ' CG ' ' B' ' 77' ' ' GLU . 7.1 p -81.79 145.97 30.16 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.243 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -87.16 -152.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.506 HD11 ' CD2' ' B' ' 79' ' ' HIS . 29.7 tp -68.89 88.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . 0.504 ' CG ' ' HB ' ' B' ' 74' ' ' THR . 43.3 mm-40 -82.37 -45.37 14.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.273 -176.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -123.66 155.15 38.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.768 -175.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.506 ' CD2' HD11 ' B' ' 76' ' ' LEU . 0.0 OUTLIER -149.28 125.75 10.93 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.683 178.458 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -89.37 107.6 19.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.476 -176.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -122.22 -37.98 2.75 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 175.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -152.18 112.45 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.036 177.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 32.5 t60 . . . . . 0 C--O 1.244 0.816 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.339 174.273 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 120.705 0.288 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -71.61 105.74 1.83 Allowed 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.792 2.328 . . . . 0.0 111.677 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.5 tp -101.4 123.29 54.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.545 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.2 m 69.32 -79.0 0.04 OUTLIER 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.59 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 t -175.46 -179.01 1.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.47 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 39.8 mtmt -92.83 -57.38 2.67 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 58.48 171.58 0.06 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 122.016 0.912 . . . . 0.0 113.037 -176.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.551 ' HB ' ' CB ' ' A' ' 11' ' ' GLN . 24.7 m -77.38 116.99 18.43 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.748 -1.114 . . . . 0.0 108.988 173.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -68.27 -33.39 74.26 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.236 -173.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.6 mp0 -65.01 -42.92 93.99 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 174.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.551 ' CB ' ' HB ' ' A' ' 8' ' ' THR . 6.0 tp60 -57.02 -50.2 73.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.373 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.83 -43.11 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.596 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.79 -43.57 97.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.248 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 64.4 mmtt -67.43 -36.58 81.52 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 11' ' ' GLN . 89.1 mt -62.86 -52.98 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.044 175.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.3 mt -57.95 -40.61 80.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.84 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.48 -50.04 75.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.392 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 22' ' ' VAL . 45.3 mt-10 -62.59 -44.1 97.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.701 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.424 HG13 HG22 ' B' ' 19' ' ' VAL . 71.5 t -60.49 -46.59 95.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.87 0.367 . . . . 0.0 110.779 178.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.21 -35.61 80.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.678 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.1 tp -67.23 -35.67 80.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.577 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 18' ' ' GLU . 89.9 t -61.62 -41.11 89.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.302 0.573 . . . . 0.0 109.575 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.604 HD13 HG23 ' A' ' 33' ' ' THR . 71.2 mt -66.35 -43.88 84.79 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.263 178.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -62.87 -47.51 83.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.974 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -52.15 -41.8 62.85 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.092 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -98.49 8.73 44.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -175.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.61 42.53 26.96 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.128 0.49 . . . . 0.0 111.331 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -68.95 115.51 8.34 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.679 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 m -63.4 157.89 61.42 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.465 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.522 ' HG3' ' HD3' ' B' ' 48' ' ' ARG . 73.3 Cg_exo -49.23 -43.52 36.93 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.09 2.526 . . . . 0.0 112.299 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.05 -53.04 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.403 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' O ' HG12 ' A' ' 36' ' ' ILE . 50.2 tp -63.41 -33.25 75.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.769 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.604 HG23 HD13 ' A' ' 23' ' ' LEU . 62.7 m -61.86 -47.32 85.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -29.16 65.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.183 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.7 ttm -60.26 -42.24 94.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.885 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 32' ' ' LEU . 40.2 mm -58.74 -49.48 82.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.919 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.16 84.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.123 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -57.9 -43.05 95.01 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.548 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -62.05 -43.2 99.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.579 0.228 . . . . 0.0 110.745 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' VAL . 86.3 mt -58.35 -56.22 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.415 177.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -56.58 -45.17 81.5 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.216 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.2 m -60.9 -44.97 96.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.261 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.89 -35.42 79.97 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.626 0.251 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 40' ' ' ILE . 90.1 t -65.15 -45.39 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 174.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.521 HD13 HD13 ' B' ' 69' ' ' LEU . 86.9 mt -62.87 -25.94 68.53 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.435 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.543 ' HA ' ' OE2' ' B' ' 70' ' ' GLU . 0.9 OUTLIER -84.87 -55.81 3.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.957 0.408 . . . . 0.0 111.561 179.258 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -93.63 -59.44 2.0 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -169.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -87.61 -28.41 21.92 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -162.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG21 HG21 ' A' ' 57' ' ' ILE . 3.8 p -79.27 159.18 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.046 0.45 . . . . 0.0 111.509 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.66 135.92 50.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.741 176.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.559 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -51.69 -43.77 62.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.0 t -87.67 3.27 48.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.569 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 8.5 tp-100 -108.16 -12.04 15.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.468 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.559 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 51.1 mtt-85 -50.45 -54.54 21.25 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.911 -173.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HE3' ' SD ' ' B' ' 66' ' ' MET . 22.1 tptm -71.94 -44.3 63.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.593 0.235 . . . . 0.0 110.866 -176.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' O ' ' HE2' ' A' ' 60' ' ' LYS . 33.9 mt -59.85 -47.18 86.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.629 -178.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.569 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 14.6 tt -71.57 -30.19 37.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.696 -175.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.57 -39.14 77.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.011 0.434 . . . . 0.0 110.1 174.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -44.23 97.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.466 174.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.419 ' HE2' ' O ' ' A' ' 56' ' ' LEU . 2.5 mtmm -68.36 -35.95 78.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.133 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -58.7 -50.07 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 110.364 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.55 -42.28 96.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.882 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.93 -51.58 66.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.444 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.47 73.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 26.1 tp -63.58 -48.41 77.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.238 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.496 ' HA ' HD12 ' A' ' 69' ' ' LEU . 24.2 mmt -65.3 -40.66 94.1 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.064 0.459 . . . . 0.0 110.416 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.1 m -69.08 -17.25 63.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.811 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.0 m -102.18 2.3 37.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.079 0.466 . . . . 0.0 110.55 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 23.5 mt -84.7 95.65 8.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.775 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' O ' ' HD3' ' A' ' 72' ' ' PRO . 45.8 mt-10 -88.31 92.07 9.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 169.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.4 p -91.67 107.39 21.85 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.486 -176.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 70' ' ' GLU . 56.3 Cg_endo -74.89 93.36 0.95 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.208 1.939 . . . . 0.0 111.617 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -88.66 130.32 35.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.713 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 p -74.76 80.52 2.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.762 0.792 . . . . 0.0 110.394 176.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -153.52 35.77 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.999 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.566 ' HG ' ' HG3' ' A' ' 77' ' ' GLU . 57.7 tp -75.56 117.71 17.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.739 -174.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.566 ' HG3' ' HG ' ' A' ' 76' ' ' LEU . 36.6 mt-10 71.58 123.54 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 O-C-N 124.126 0.891 . . . . 0.0 112.956 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -176.05 -45.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.894 174.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -166.34 150.32 7.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.305 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -117.64 162.79 17.46 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 70.65 147.6 0.07 Allowed 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.611 0.569 . . . . 0.0 110.4 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -86.24 116.16 24.24 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.881 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.427 -0.797 . . . . 0.0 109.568 -178.357 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.736 0.303 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.35 92.18 0.84 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.588 2.192 . . . . 0.0 111.954 178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.0 pt -87.35 -29.57 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.811 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 10.8 m -153.96 80.45 1.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t 63.34 -172.67 0.16 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.924 -172.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' B' ' 6' ' ' LYS . 16.7 pttp -125.34 71.01 1.19 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.962 0.887 . . . . 0.0 109.825 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -53.27 151.21 5.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.466 174.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 96.4 m -55.85 123.35 13.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.424 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -49.63 -49.06 48.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.54 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 6.2 tt0 -60.33 -47.03 87.78 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.225 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -57.42 -48.36 79.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.962 0.41 . . . . 0.0 110.669 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.06 -41.27 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.538 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.43 -43.77 88.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.639 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 33.3 mmtp -56.75 -47.52 79.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.242 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.415 ' O ' HG23 ' B' ' 19' ' ' VAL . 65.7 mt -66.73 -51.0 60.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.92 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 72.4 mt -58.27 -39.82 80.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.076 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.39 82.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.01 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.489 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.0 mt-10 -66.0 -41.59 90.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.089 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.424 HG22 HG13 ' A' ' 19' ' ' VAL . 72.5 t -60.72 -47.77 91.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.734 0.302 . . . . 0.0 110.869 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.63 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -62.76 -39.85 95.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.281 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.489 HG23 ' O ' ' B' ' 18' ' ' GLU . 86.4 t -63.28 -44.54 99.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 120.957 0.408 . . . . 0.0 110.068 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.495 HD13 HG23 ' B' ' 33' ' ' THR . 68.0 mt -62.79 -46.0 90.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.732 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.82 -40.14 91.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -66.33 -20.8 66.19 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.249 -177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -107.89 7.88 28.3 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.004 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.61 42.24 17.56 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.53 0.519 . . . . 0.0 111.437 178.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.533 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -68.31 120.75 14.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.525 -178.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 50.7 m -77.6 165.87 48.16 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.035 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 88.7 Cg_exo -48.0 -48.0 17.56 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.329 2.686 . . . . 0.0 114.056 -177.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.469 ' OE1' ' HB2' ' B' ' 29' ' ' SER . 0.0 OUTLIER -67.32 -43.67 81.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.465 -177.286 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' B' ' 28' ' ' ALA . 64.6 tp -61.23 -39.5 90.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.793 0.33 . . . . 0.0 110.471 175.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.495 HG23 HD13 ' B' ' 23' ' ' LEU . 95.1 m -56.54 -51.55 68.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.932 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.81 -31.36 66.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.2 -177.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 31.6 ttp -66.26 -36.19 82.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.4 176.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.467 HG12 ' O ' ' B' ' 32' ' ' LEU . 20.4 mm -59.06 -48.01 88.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 173.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.53 -37.84 76.48 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.114 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.08 78.18 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.352 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.56 -38.48 84.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.645 0.259 . . . . 0.0 110.755 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 36' ' ' ILE . 84.4 mt -57.8 -57.32 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.401 177.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.94 -44.99 87.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.148 -178.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 54.7 m -55.49 -56.16 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.9 0.381 . . . . 0.0 111.291 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.8 -34.55 78.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.899 -175.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.444 HG21 ' CG2' ' A' ' 33' ' ' THR . 93.4 t -71.26 -41.05 74.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.936 0.398 . . . . 0.0 110.874 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 96.2 mt -68.65 -26.39 65.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.766 179.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.65 -46.1 14.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.474 179.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -123.69 27.92 7.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -166.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.522 ' HD3' ' HG3' ' A' ' 30' ' ' PRO . 57.4 mtt180 -145.34 -48.33 0.23 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 176.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.626 HG21 HG21 ' B' ' 57' ' ' ILE . 7.2 p -77.96 154.15 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.992 -0.283 . . . . 0.0 111.314 -173.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.96 11.27 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.464 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -45.1 78.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.396 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 26.6 t -78.9 -18.29 54.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.609 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.434 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 8.5 tp-100 -88.2 -18.12 29.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.175 0.512 . . . . 0.0 109.952 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -53.82 -63.97 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.032 -0.986 . . . . 0.0 112.56 -168.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.484 ' HE3' ' HB3' ' B' ' 55' ' ' LYS . 11.2 mtpp -71.03 -33.71 70.58 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.729 -178.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' B' ' 56' ' ' LEU . 54.3 mt -63.77 -52.43 60.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.631 0.253 . . . . 0.0 110.99 -178.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.626 HG21 HG21 ' B' ' 49' ' ' VAL . 13.0 tt -66.92 -29.09 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.196 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.82 -46.24 82.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.123 178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.03 -30.35 44.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.023 -178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -58.27 -46.78 85.39 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.071 0.462 . . . . 0.0 110.094 169.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -57.54 -44.55 85.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.936 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -61.35 -43.51 98.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.986 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -41.55 98.78 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.029 0.442 . . . . 0.0 109.966 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.09 90.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.448 177.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 tp -69.31 -33.34 73.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.682 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 21.2 mmt -69.64 -29.18 66.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.212 0.53 . . . . 0.0 109.909 176.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.4 m -84.66 -32.67 23.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.419 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 53.1 p -76.1 -24.74 55.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.135 0.493 . . . . 0.0 110.196 176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.521 HD13 HD13 ' A' ' 45' ' ' LEU . 57.5 tp -57.18 128.8 38.8 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.53 176.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.543 ' OE2' ' HA ' ' A' ' 46' ' ' ASN . 37.8 mt-10 -51.74 -50.23 61.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.873 -177.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 8.3 m 58.99 80.45 0.28 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.628 -174.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.27 44.35 1.68 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.168 2.579 . . . . 0.0 113.271 -172.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.538 ' HB3' ' NZ ' ' B' ' 73' ' ' LYS . 8.7 mtpm? -128.34 -79.41 0.57 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.901 177.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 4.9 t -80.55 72.76 7.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.887 0.851 . . . . 0.0 110.433 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -166.17 -44.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.581 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 93.6 mt -99.45 87.76 3.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.573 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.61 125.98 28.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.094 178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 35.0 m170 -95.5 -55.96 2.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.52 -173.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -138.47 147.22 42.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.874 0.368 . . . . 0.0 110.989 -177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -121.49 -42.01 2.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -91.41 136.31 33.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.849 -1.069 . . . . 0.0 109.167 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -82.29 137.47 34.82 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 -174.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 68.0 t60 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.369 -0.824 . . . . 0.0 109.609 174.92 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.125 0.488 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -91.62 -22.67 0.5 Allowed 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.849 2.366 . . . . 0.0 113.043 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.1 pt -89.35 -34.52 6.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.754 -175.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.2 m -102.69 111.06 23.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.039 0.447 . . . . 0.0 110.491 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -158.9 -169.82 2.82 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.4 pttt -74.79 -15.58 60.75 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.204 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 62.79 -166.78 0.22 Allowed 'General case' 0 C--O 1.233 0.194 0 O-C-N 123.774 0.671 . . . . 0.0 110.487 -175.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -71.65 98.43 1.91 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -58.69 -23.42 59.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.075 -0.512 . . . . 0.0 112.056 -172.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.476 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 6.8 tp10 -61.86 -55.08 33.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.221 0.534 . . . . 0.0 109.773 174.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 15' ' ' ILE . 6.1 tp-100 -59.49 -46.55 88.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.556 179.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.2 t -59.88 -46.1 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.166 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -57.98 -46.61 84.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.849 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 10' ' ' GLU . 12.9 mptt -63.31 -40.35 97.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.007 -177.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 19' ' ' VAL . 74.6 mt -64.11 -51.95 62.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.596 177.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.15 -41.64 93.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.222 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.11 93.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.343 -178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 22' ' ' VAL . 40.0 mt-10 -69.95 -39.35 76.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.593 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 86.6 t -61.85 -46.84 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.796 0.332 . . . . 0.0 110.366 177.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.15 -36.56 84.04 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -62.94 -42.96 99.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.164 176.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 18' ' ' GLU . 77.6 t -61.36 -40.97 88.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 120.917 0.389 . . . . 0.0 110.325 178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 79.0 mt -58.72 -50.22 74.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.246 178.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -66.29 -42.59 88.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -62.05 -33.14 73.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.55 -176.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -103.28 11.13 37.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.366 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.63 37.36 27.42 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.438 0.461 . . . . 0.0 111.819 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.14 119.3 12.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.414 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -62.28 149.69 86.63 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.265 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -50.72 -42.29 51.06 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.119 2.546 . . . . 0.0 112.749 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -61.79 -46.58 88.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.197 0.522 . . . . 0.0 110.303 176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD11 HG22 ' B' ' 12' ' ' VAL . 66.9 tp -60.14 -39.0 84.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.281 177.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 93.3 m -56.34 -49.8 73.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.369 178.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tt -73.41 -33.11 64.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.523 -176.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.516 ' HB2' HG23 ' B' ' 4' ' ' THR . 13.9 tmm? -66.32 -33.9 76.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.089 0.471 . . . . 0.0 109.919 177.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.5 mt -63.72 -42.76 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.531 174.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -34.55 71.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.0 -45.63 95.23 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.156 176.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -59.82 -41.71 91.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.699 0.285 . . . . 0.0 110.462 177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.478 ' O ' HG23 ' A' ' 44' ' ' VAL . 78.7 mt -58.08 -58.72 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.393 178.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.45 -46.67 80.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.323 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' A' ' 46' ' ' ASN . 59.9 m -58.62 -47.35 84.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.535 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -70.22 -37.74 75.09 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.735 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 87.7 t -61.21 -48.19 90.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.549 HD13 HD13 ' B' ' 69' ' ' LEU . 97.8 mt -64.08 -22.57 66.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.201 0.524 . . . . 0.0 111.162 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' ' 42' ' ' THR . 8.9 t-20 -89.43 -56.88 3.08 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.78 -173.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -123.04 1.83 9.26 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -170.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.791 ' HE ' ' HA ' ' A' ' 48' ' ' ARG . 1.2 mmp_? -129.9 22.43 5.37 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.91 -174.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.601 HG22 ' H ' ' A' ' 50' ' ' ALA . 2.9 p -144.28 175.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' H ' HG22 ' A' ' 49' ' ' VAL . . . -96.87 141.58 29.89 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.29 -48.65 76.19 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.8 m -71.21 -13.53 61.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.237 0.542 . . . . 0.0 111.155 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.522 ' O ' ' HB ' ' A' ' 57' ' ' ILE . 9.2 tp60 -106.08 -5.48 19.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.804 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.513 ' HG2' HD11 ' B' ' 69' ' ' LEU . 42.6 ttm180 -68.06 -60.82 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.173 -167.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 59.1 tttm -67.99 -31.57 71.37 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.179 -177.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tt -66.28 -42.76 87.98 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.718 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -71.02 -28.61 33.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.599 177.785 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.35 -44.57 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.245 173.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 68.7 mm-40 -56.83 -42.97 80.56 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.87 174.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.718 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 50.7 mtpt -53.36 -56.15 19.07 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.654 177.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.519 ' HB2' HD21 ' B' ' 34' ' ' LEU . 89.4 t80 -56.95 -51.55 68.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.062 -178.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.38 75.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.861 -175.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.475 ' HA ' ' OE1' ' A' ' 63' ' ' GLN . 14.5 mm-40 -68.68 -36.56 78.66 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.856 -0.338 . . . . 0.0 111.084 -177.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.86 87.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.103 0.478 . . . . 0.0 110.07 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 29.0 tp -64.44 -46.14 84.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.567 177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 32.4 tpp -69.7 -33.37 72.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.287 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 p -77.79 -20.01 54.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.967 0.413 . . . . 0.0 110.705 178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.2 m -91.62 -8.1 48.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.229 0.538 . . . . 0.0 110.205 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.579 ' HG ' HG23 ' A' ' 71' ' ' THR . 42.3 tp -73.62 112.21 9.5 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 175.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -41.52 -64.01 0.63 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 124.146 0.903 . . . . 0.0 112.598 -173.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.579 HG23 ' HG ' ' A' ' 69' ' ' LEU . 39.5 p 48.03 89.38 0.09 OUTLIER Pre-proline 0 N--CA 1.472 0.641 0 C-N-CA 123.429 0.692 . . . . 0.0 112.594 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -57.28 133.5 57.73 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.546 2.164 . . . . 0.0 111.693 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -112.72 147.08 37.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.976 0.417 . . . . 0.0 110.436 -175.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.23 111.11 21.76 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.24 -166.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -137.04 -93.48 0.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.996 172.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 mp 52.55 29.43 7.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 176.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 79' ' ' HIS . 49.5 mm-40 -115.55 -65.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -173.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.466 ' HB2' ' O ' ' A' ' 77' ' ' GLU . 34.3 m80 72.76 -39.58 0.45 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.186 0.594 . . . . 0.0 110.273 -168.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.467 ' H ' ' C ' ' A' ' 77' ' ' GLU . 58.2 m80 72.92 173.35 0.3 Allowed 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.654 0.782 . . . . 0.0 110.749 179.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -85.69 136.51 33.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.137 0.494 . . . . 0.0 110.986 -175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -138.92 -162.65 1.35 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.39 178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -140.67 -36.08 0.48 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 . . . . . 0 C--O 1.25 1.091 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 177.886 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' B' ' 2' ' ' PRO . 2.2 tmt? . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 1' ' ' MET . 12.2 Cg_exo -70.76 132.71 22.25 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.1 2.534 . . . . 0.0 111.975 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.6 pt -79.99 -164.92 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.298 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.516 HG23 ' HB2' ' A' ' 35' ' ' MET . 85.6 m -43.99 120.54 2.11 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.425 -0.807 . . . . 0.0 112.21 179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -149.41 -170.67 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -71.85 -42.68 66.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.493 0.187 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 59.6 -156.49 0.34 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.656 -174.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.486 HG23 ' HB3' ' B' ' 11' ' ' GLN . 2.3 t -82.47 102.54 11.4 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.302 0.572 . . . . 0.0 109.774 174.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.02 -16.19 58.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.127 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 25.5 mt-10 -62.96 -50.04 72.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.814 175.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.486 ' HB3' HG23 ' B' ' 8' ' ' THR . 35.5 tt0 -69.81 -41.99 74.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.414 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.472 HG22 HD11 ' A' ' 32' ' ' LEU . 64.8 t -54.73 -46.46 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.261 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.33 -44.76 84.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.834 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 44.6 mmtm -62.81 -46.61 87.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.613 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.29 -37.86 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.493 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 12' ' ' VAL . 82.2 mt -61.35 -40.91 96.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.469 174.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.02 82.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.867 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 5.6 mm-40 -60.16 -54.26 47.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 109.922 175.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 59.6 t -63.77 -42.89 97.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.99 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.1 77.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.18 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.38 -43.33 86.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.017 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 18' ' ' GLU . 93.1 t -60.39 -47.25 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.445 178.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 56.4 mt -64.39 -40.57 96.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.956 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.65 -42.13 82.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 0.0 110.495 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.32 -37.35 87.2 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -87.01 2.06 50.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.009 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.28 46.18 21.64 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.574 0.546 . . . . 0.0 111.764 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.509 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -66.52 131.07 45.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.202 0.525 . . . . 0.0 111.563 -179.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.4 ' HB3' ' HD2' ' B' ' 30' ' ' PRO . 13.9 m -85.1 158.09 58.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.591 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 2.6 Cg_endo -46.42 -51.17 9.19 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.557 2.838 . . . . 0.0 113.549 -177.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -56.46 -47.27 79.52 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.037 0.446 . . . . 0.0 110.316 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' B' ' 28' ' ' ALA . 54.9 tp -63.23 -46.58 86.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.752 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.408 ' O ' ' HB ' ' B' ' 36' ' ' ILE . 57.3 m -56.32 -49.72 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.142 0.496 . . . . 0.0 111.413 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 61' ' ' PHE . 7.5 tt -68.74 -33.1 73.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.213 -177.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 53.8 ttp -67.51 -31.43 71.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.276 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.486 HG12 ' O ' ' B' ' 32' ' ' LEU . 24.3 mm -60.64 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.08 78.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.53 -46.19 94.81 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.011 176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -62.35 -39.65 93.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.586 0.231 . . . . 0.0 110.411 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.522 ' O ' HG23 ' B' ' 44' ' ' VAL . 86.5 mt -57.54 -57.91 8.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.5 176.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -57.39 -47.0 82.83 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 123.372 0.42 . . . . 0.0 111.325 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 26.3 m -60.57 -47.26 86.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.978 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -66.88 -33.63 76.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.613 0.244 . . . . 0.0 110.806 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.522 HG23 ' O ' ' B' ' 40' ' ' ILE . 94.4 t -64.9 -45.48 94.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 173.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.536 HD13 HD13 ' A' ' 69' ' ' LEU . 97.1 mt -63.91 -19.57 65.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.865 178.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -87.91 -66.77 0.88 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.355 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -113.43 6.55 17.23 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.963 1.098 . . . . 0.0 113.963 -163.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -127.25 -30.78 2.62 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.551 HG22 ' HB3' ' B' ' 53' ' ' GLN . 6.1 p -89.05 157.9 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.73 0.3 . . . . 0.0 110.97 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.07 152.4 38.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.78 177.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.53 -52.56 61.64 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -62.37 -34.89 77.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.275 0.559 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.551 ' HB3' HG22 ' B' ' 49' ' ' VAL . 12.7 tp60 -76.58 -25.74 54.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.837 -175.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -48.81 -58.69 4.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.814 0.696 . . . . 0.0 112.443 -172.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -68.59 -39.49 80.91 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 -176.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.8 -50.04 59.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.378 -177.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.525 HG21 HG21 ' B' ' 49' ' ' VAL . 14.5 tt -67.23 -35.19 73.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.787 -174.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.15 -40.18 86.65 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.076 0.465 . . . . 0.0 110.827 177.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -72.76 -43.51 62.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.294 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -57.56 -45.59 84.97 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.152 175.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -60.16 -49.38 77.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.22 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.499 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -60.86 -43.42 98.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.95 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -67.62 -40.73 84.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.529 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.73 -38.31 89.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.368 . . . . 0.0 110.411 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 42.8 tp -65.31 -45.08 85.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.66 178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 26.4 mmt -68.13 -30.47 69.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.985 0.421 . . . . 0.0 111.036 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.7 t -72.24 -36.27 69.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.993 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -88.13 3.58 48.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.803 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.549 HD13 HD13 ' A' ' 45' ' ' LEU . 58.1 tp -72.01 98.67 2.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.251 178.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -79.22 105.05 10.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.194 0.521 . . . . 0.0 110.695 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.462 ' HB ' ' HD2' ' A' ' 54' ' ' ARG . 12.3 t -149.97 138.65 12.53 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.66 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -84.86 -158.27 0.09 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.709 2.273 . . . . 0.0 112.771 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 73.97 11.58 4.41 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.291 176.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -72.78 -30.79 64.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 76.9 t60 62.24 91.54 0.06 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.542 172.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.51 133.62 50.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.239 172.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -109.6 154.23 23.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.575 0.702 . . . . 0.0 112.412 -173.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -133.32 3.91 3.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.644 172.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -70.93 104.52 2.98 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 173.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -93.0 169.17 10.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.328 0.585 . . . . 0.0 111.758 -173.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -85.37 163.04 18.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.18 172.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -99.19 119.27 37.59 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.952 -0.547 . . . . 0.0 109.632 -179.184 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' HB3' ' HA ' ' A' ' 6' ' ' LYS . 14.8 Cg_exo -68.21 98.04 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.625 2.216 . . . . 0.0 111.484 177.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.9 pt -83.5 -26.42 7.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.677 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.6 m -126.33 71.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.275 179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.443 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 45.2 m 67.18 136.45 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.442 -178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HA ' ' HB3' ' A' ' 2' ' ' PRO . 62.9 tttp -77.68 84.77 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.162 0.506 . . . . 0.0 110.481 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.443 ' CE2' ' HB2' ' A' ' 5' ' ' SER . 56.1 m-85 -88.69 171.29 10.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.209 176.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.8 112.58 8.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.759 175.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.92 -44.16 78.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.705 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.659 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 25.0 mm-40 -61.98 -45.83 91.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.435 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' O ' HG13 ' A' ' 15' ' ' ILE . 10.3 tt0 -63.61 -44.61 93.45 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.922 -175.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.37 -44.45 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -63.77 -39.99 95.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.438 178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 73.3 mmtt -68.09 -41.61 81.59 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.872 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 11' ' ' GLN . 67.2 mt -60.89 -46.44 96.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 177.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 HG23 ' B' ' 36' ' ' ILE . 95.4 mt -59.68 -39.18 83.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.43 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.25 -44.93 93.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.084 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -62.29 -45.25 94.08 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.765 0.317 . . . . 0.0 110.696 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 87.9 t -62.46 -48.65 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.634 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 24' ' ' GLU . . . -62.88 -30.76 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.058 -179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.02 -45.58 91.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.269 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.51 -42.17 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.123 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.501 HD13 HG23 ' A' ' 33' ' ' THR . 73.1 mt -65.94 -42.21 90.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.538 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 3.5 tp10 -62.2 -50.81 70.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.757 -177.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -67.61 -29.49 68.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.35 -177.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -82.68 -3.93 57.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.032 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.42 45.85 26.24 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.599 0.562 . . . . 0.0 110.329 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.45 117.63 8.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.992 -177.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 m -58.1 152.96 37.66 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.607 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -52.14 -47.54 26.22 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.763 2.309 . . . . 0.0 112.857 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -57.43 -46.54 83.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.009 0.433 . . . . 0.0 110.074 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.5 tp -63.97 -51.46 64.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.746 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.501 HG23 HD13 ' A' ' 23' ' ' LEU . 40.3 m -54.21 -49.29 69.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.563 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' B' ' 61' ' ' PHE . 6.9 tt -72.92 -31.1 64.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.821 -175.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 15.9 tmm? -66.87 -35.83 80.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.7 mt -60.72 -42.07 90.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.307 174.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.92 89.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.071 0.463 . . . . 0.0 110.381 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.04 -39.14 93.0 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.186 176.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.62 -43.98 89.83 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.437 ' O ' HG23 ' A' ' 44' ' ' VAL . 81.8 mt -58.81 -57.0 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.391 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.05 -47.64 74.54 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.351 -178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 51.5 m -54.91 -55.62 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.99 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -62.69 -40.73 98.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.62 0.248 . . . . 0.0 111.103 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 40' ' ' ILE . 97.6 t -65.78 -42.17 91.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.815 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.54 ' HA ' HG12 ' A' ' 49' ' ' VAL . 96.5 mt -66.38 -45.25 80.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.074 0.464 . . . . 0.0 110.642 178.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -68.78 -45.99 69.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.402 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -128.52 32.61 4.81 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 -169.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -151.97 -48.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.281 -0.568 . . . . 0.0 112.065 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' ' 45' ' ' LEU . 2.6 p -81.11 152.85 4.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.435 -178.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.49 139.57 58.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.68 -36.47 76.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.918 0.39 . . . . 0.0 110.806 177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.2 t -66.85 -23.76 66.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.348 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.425 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 5.6 tp-100 -97.1 -21.58 17.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.448 -178.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -52.21 -50.19 62.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.892 -167.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 6.8 tmtt? -71.63 -40.95 69.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.873 0.368 . . . . 0.0 110.357 -177.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.34 -43.5 77.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.482 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.505 HG21 HG21 ' A' ' 49' ' ' VAL . 17.2 tt -71.2 -25.76 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.356 -178.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.0 80.83 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.084 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 30.1 mm-40 -61.53 -43.72 98.34 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.927 174.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -58.11 -43.67 87.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.506 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.7 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 79.7 t80 -59.83 -54.17 49.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.588 179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -59.09 -43.81 91.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.045 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.846 HE21 ' HA ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -61.54 -41.74 97.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.15 -46.26 88.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.738 0.304 . . . . 0.0 110.417 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mp -58.35 -48.31 80.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.065 177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.529 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 22.7 mmt -69.94 -34.02 72.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.758 -175.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.7 p -77.45 -26.52 51.57 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.382 -0.199 . . . . 0.0 111.452 -175.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.0 p -105.39 10.98 33.22 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.063 0.459 . . . . 0.0 111.035 179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' B' ' 54' ' ' ARG . 49.1 tp -78.58 131.86 36.91 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.751 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -70.36 94.19 0.92 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.088 0.47 . . . . 0.0 110.883 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.2 p -88.77 150.68 46.32 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.395 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -71.41 69.05 2.67 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.52 2.147 . . . . 0.0 112.584 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -93.51 11.85 27.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.16 177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.1 p -76.84 88.04 3.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.661 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -130.52 86.71 2.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.581 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.7 tp -164.63 148.19 9.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.546 -176.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.3 103.59 9.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 175.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -101.96 32.02 3.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.708 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.9 t60 -97.4 -41.88 8.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.032 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -146.39 -34.38 0.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.17 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -67.18 -55.69 13.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.7 -176.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -127.12 84.64 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.307 -0.557 . . . . 0.0 110.617 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.374 -0.822 . . . . 0.0 109.414 177.376 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.462 ' O ' ' HE2' ' B' ' 6' ' ' LYS . 75.1 Cg_exo -51.79 -28.03 29.05 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.947 2.431 . . . . 0.0 113.129 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.7 pt -121.93 155.86 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.523 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 22.3 m 67.12 -81.93 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.673 0.608 . . . . 0.0 112.199 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.1 m -93.21 89.35 6.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.007 0.432 . . . . 0.0 111.084 -174.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' B' ' 2' ' ' PRO . 67.6 mttt -112.21 14.13 20.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.726 178.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -114.02 -172.79 2.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 -167.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 4.4 m -69.0 111.62 5.12 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.287 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.44 -37.9 70.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.192 178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.646 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 37.4 tt0 -54.47 -57.62 10.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.47 178.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -61.42 -39.75 91.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.089 -175.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 81.0 t -55.48 -50.04 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.96 -45.99 86.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.191 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 64.5 mmtt -66.7 -35.69 80.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.186 -174.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.414 ' O ' HG23 ' B' ' 19' ' ' VAL . 69.8 mt -69.48 -44.37 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 176.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -56.5 -38.03 71.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.481 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -63.77 -46.11 86.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.038 177.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' B' ' 14' ' ' LYS . 16.1 mm-40 -63.45 -41.88 98.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.798 0.332 . . . . 0.0 110.723 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 19' ' ' VAL . 98.0 t -63.23 -42.74 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.248 177.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.2 74.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.74 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 50.0 mt -65.79 -34.8 78.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.052 177.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.559 HG12 HG23 ' A' ' 15' ' ' ILE . 45.7 t -66.97 -42.84 89.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -63.59 -44.0 95.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.17 176.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.81 -43.2 98.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.91 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -63.04 -43.33 98.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.17 -177.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -87.77 -4.41 58.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.567 -178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.02 47.69 14.4 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.323 0.583 . . . . 0.0 110.452 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.433 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -63.41 130.88 46.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.342 -0.845 . . . . 0.0 112.334 -176.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -69.49 155.63 93.17 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.985 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.15 -49.52 16.02 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.08 2.52 . . . . 0.0 113.358 -178.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -66.36 -36.43 82.86 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.833 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 28' ' ' ALA . 69.2 tp -62.77 -44.07 97.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 61.7 m -57.1 -51.06 70.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.281 176.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.83 -36.79 75.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.821 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 43.4 ttp -66.62 -32.58 74.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.99 0.424 . . . . 0.0 110.255 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.409 HG23 HD23 ' A' ' 16' ' ' LEU . 11.8 mt -63.16 -44.31 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 173.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.16 -39.75 79.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.055 0.455 . . . . 0.0 110.524 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.79 -45.08 96.95 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.895 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -60.86 -39.15 88.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.36 0.124 . . . . 0.0 110.962 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.516 ' O ' HG23 ' B' ' 44' ' ' VAL . 76.4 mt -58.19 -57.79 9.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.577 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -55.48 -45.9 76.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.349 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 38.3 m -60.85 -43.1 98.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.288 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -60.78 -43.26 98.32 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 40' ' ' ILE . 58.5 t -62.55 -45.7 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.614 177.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 95.5 mt -66.19 -22.7 66.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.908 -177.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -99.51 -40.59 7.77 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.944 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -105.37 -39.21 6.23 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -175.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -106.0 22.88 14.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.686 0.625 . . . . 0.0 112.686 -165.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 p -145.26 163.44 12.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.599 0.237 . . . . 0.0 110.531 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.9 147.88 42.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.019 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.527 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . . . -59.69 -39.44 84.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.008 -176.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -79.69 -18.1 52.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.117 0.484 . . . . 0.0 110.688 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.466 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 8.0 tp-100 -85.86 -22.09 27.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.528 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.527 ' NE ' ' HA ' ' B' ' 51' ' ' ALA . 65.4 mtt-85 -46.22 -58.38 3.72 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.605 0.566 . . . . 0.0 112.38 -171.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -71.28 -40.01 71.17 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.359 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 tt -59.24 -51.51 69.67 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.466 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 14.0 tt -72.19 -20.94 20.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.735 -176.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.92 -48.51 44.89 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.741 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -79.84 -25.34 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.691 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -58.26 -46.93 85.11 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 168.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.7 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 35.9 t80 -61.98 -51.1 69.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.005 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -57.64 -41.0 80.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.668 -178.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -63.77 -44.93 91.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.795 0.331 . . . . 0.0 110.53 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.13 95.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.756 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 35.0 tp -60.32 -45.52 93.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.462 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.5 mmt -68.15 -31.87 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.047 0.451 . . . . 0.0 110.584 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 25.8 t -68.09 -32.06 72.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.774 -178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 8.7 t -104.33 13.19 32.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.068 0.461 . . . . 0.0 110.436 -178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -80.43 135.12 36.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.851 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.72 96.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.251 0.548 . . . . 0.0 110.482 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 45.5 m -129.75 110.86 17.37 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.24 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.18 103.62 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.094 2.529 . . . . 0.0 111.86 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -85.37 71.99 10.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.333 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 10.2 t -116.43 160.26 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.628 -177.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -58.99 109.36 0.82 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.084 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 7.4 tt -102.99 -53.28 2.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -172.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -83.47 137.37 33.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.356 0.598 . . . . 0.0 111.368 -173.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -168.78 98.04 0.38 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.863 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . 0.645 ' HB3' ' HB3' ' B' ' 83' ' ' HIS . 19.9 p-80 -128.85 29.98 5.15 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -173.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -72.31 -48.74 39.85 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 168.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -74.62 125.39 28.55 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 158.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -48.33 126.67 11.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.606 0.717 . . . . 0.0 112.639 -167.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.645 ' HB3' ' HB3' ' B' ' 79' ' ' HIS . 9.7 t-160 . . . . . 0 C--O 1.248 0.985 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.101 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.546 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . 59.1 mtt . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.789 0.328 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -92.71 40.78 0.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.339 2.693 . . . . 0.0 114.094 -173.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 1' ' ' MET . 1.1 mp -96.9 -14.35 7.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.323 0.582 . . . . 0.0 109.443 176.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.38 149.71 45.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.655 -175.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -54.58 123.53 13.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.62 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -83.31 91.65 7.35 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.455 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -84.51 -170.25 3.01 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.049 172.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 25.1 m -62.93 114.98 3.98 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 173.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.58 -35.48 80.95 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -174.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -67.22 -37.22 83.23 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.651 175.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.557 ' O ' HG13 ' A' ' 15' ' ' ILE . 33.6 tt0 -54.22 -55.54 27.03 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 176.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.441 HG22 HD11 ' B' ' 32' ' ' LEU . 42.5 t -58.0 -49.76 80.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.061 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -55.37 -45.07 76.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.345 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.41 -31.54 60.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.274 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.589 HG23 HG12 ' B' ' 22' ' ' VAL . 76.2 mt -64.29 -46.88 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 174.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -57.87 -36.74 72.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.812 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.96 -38.92 92.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.49 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 22' ' ' VAL . 34.4 mm-40 -70.01 -43.22 71.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.433 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 15' ' ' ILE . 91.2 t -58.35 -45.87 89.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.706 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.75 98.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.641 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.4 tt -60.95 -37.05 81.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.377 179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.544 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 77.4 t -63.2 -38.69 82.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.091 0.472 . . . . 0.0 110.714 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.1 mt -69.1 -39.8 78.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.699 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -34.68 78.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.589 0.233 . . . . 0.0 111.075 175.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HD3' ' HA ' ' A' ' 22' ' ' VAL . 52.4 mtpt -60.58 -19.73 58.41 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.288 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -121.17 6.73 10.24 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.193 -0.203 . . . . 0.0 111.438 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 52.26 46.83 25.95 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.13 0.49 . . . . 0.0 110.956 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 137.02 58.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.967 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.8 p -82.52 163.19 53.19 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.604 175.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.77 -39.51 89.25 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.386 2.057 . . . . 0.0 111.653 175.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.89 -51.03 66.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.57 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.496 ' O ' HG12 ' A' ' 36' ' ' ILE . 54.6 tp -61.83 -40.82 96.64 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.632 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 99.3 m -57.11 -46.38 82.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.39 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.5 -30.4 64.48 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.5 ttp -68.2 -34.93 77.17 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.935 176.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.519 ' O ' HG13 ' A' ' 40' ' ' ILE . 41.4 mm -56.91 -50.07 76.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 173.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.55 96.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.021 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.04 -45.23 96.3 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.953 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -66.53 -34.44 77.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.57 0.185 . . . . 0.0 110.638 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 36' ' ' ILE . 67.6 mt -58.31 -54.68 29.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 173.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.554 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -58.32 -44.0 88.43 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.98 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.3 m -61.17 -45.19 95.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.886 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -58.88 -42.25 89.03 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.974 0.416 . . . . 0.0 110.238 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.697 ' HA ' ' HB2' ' A' ' 48' ' ' ARG . 69.9 t -62.21 -49.64 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.987 175.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 97.5 mt -60.54 -19.69 57.97 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.708 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.5 -59.41 2.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.777 0.323 . . . . 0.0 111.377 178.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -114.32 -31.72 6.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -169.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.697 ' HB2' ' HA ' ' A' ' 44' ' ' VAL . 41.7 mtt180 -96.95 15.83 21.19 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -168.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG22 ' HB3' ' A' ' 53' ' ' GLN . 4.0 p -138.75 161.77 29.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.85 146.71 37.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' HA ' ' NE ' ' A' ' 54' ' ' ARG . . . -56.16 -42.0 76.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.946 0.403 . . . . 0.0 111.491 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.5 m -77.41 -2.69 36.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.443 -179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.863 HE21 ' HA ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -107.12 -18.4 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 122.322 -0.236 . . . . 0.0 111.532 -176.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 51' ' ' ALA . 66.3 mtt-85 -47.65 -63.21 1.12 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -171.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HA ' HD11 ' B' ' 69' ' ' LEU . 8.8 tmtm? -69.14 -35.43 76.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.839 -174.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 56' ' ' LEU . 40.5 mt -67.51 -47.63 69.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.581 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.567 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 16.2 tt -68.1 -27.26 36.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.02 -178.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.01 -40.49 83.0 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.76 174.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 55' ' ' LYS . 57.3 mm-40 -64.2 -46.98 81.53 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.195 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 28.0 mtpp -53.97 -46.4 71.65 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.416 176.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.603 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 82.6 t80 -59.11 -50.98 71.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.044 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.45 -44.12 96.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.322 -178.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -60.99 -40.64 94.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.052 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.15 -36.3 81.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.979 0.419 . . . . 0.0 110.682 178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.8 tp -69.98 -40.75 75.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.701 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.527 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 23.6 mmt -70.56 -31.44 68.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.713 0.292 . . . . 0.0 111.533 -178.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 p -79.06 -23.77 44.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.919 0.39 . . . . 0.0 110.84 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 m -91.39 -1.26 57.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.283 0.563 . . . . 0.0 110.172 176.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' B' ' 54' ' ' ARG . 59.7 tp -73.6 114.92 12.39 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.275 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -86.67 102.76 14.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 m -126.33 97.33 34.51 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.729 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.17 56.41 6.05 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.629 2.886 . . . . 0.0 113.064 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -88.46 20.31 3.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.172 0.511 . . . . 0.0 110.931 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 30.3 p -79.16 -14.2 59.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.718 -177.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -117.61 -0.2 11.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.796 0.331 . . . . 0.0 110.808 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.6 tp -161.56 118.26 2.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -94.81 158.31 15.55 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 173.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -80.64 119.95 23.94 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -67.78 86.67 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.637 0.732 . . . . 0.0 112.832 -169.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -109.75 11.7 24.35 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 168.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -87.72 173.39 9.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.348 -1.297 . . . . 0.0 110.801 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 72.56 105.81 0.07 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 124.053 0.846 . . . . 0.0 111.1 -177.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 . . . . . 0 C--O 1.242 0.687 0 CA-C-O 118.532 -0.747 . . . . 0.0 109.828 178.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 mmt . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.99 83.22 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.766 2.311 . . . . 0.0 112.844 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 26.9 mt -134.21 136.41 53.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.109 175.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 3.4 t -66.49 86.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.124 0.964 . . . . 0.0 111.198 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.598 ' O ' ' HB3' ' B' ' 6' ' ' LYS . 70.2 m -160.36 -169.96 2.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.662 -1.153 . . . . 0.0 108.288 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.598 ' HB3' ' O ' ' B' ' 5' ' ' SER . 29.2 ttpt 74.69 12.23 3.74 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 122.144 0.973 . . . . 0.0 109.384 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -112.82 160.07 18.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.157 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.517 ' HB ' ' CB ' ' B' ' 11' ' ' GLN . 10.8 m -62.99 113.59 3.18 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 174.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.31 -47.5 83.52 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.872 0.367 . . . . 0.0 111.056 -177.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' B' ' 14' ' ' LYS . 2.6 tt0 -57.59 -41.33 80.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.511 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.517 ' CB ' ' HB ' ' B' ' 8' ' ' THR . 7.8 tt0 -63.11 -37.66 88.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.13 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 8' ' ' THR . 98.9 t -57.96 -45.79 87.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.97 175.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.14 -35.53 81.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.423 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' B' ' 10' ' ' GLU . 34.3 mmtp -64.55 -43.8 92.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.621 177.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.511 HG13 ' O ' ' B' ' 11' ' ' GLN . 76.2 mt -60.72 -46.21 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.509 HD23 HG23 ' A' ' 36' ' ' ILE . 89.8 mt -57.26 -43.6 83.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.574 177.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' B' ' 21' ' ' LEU . . . -61.21 -46.35 90.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.85 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.517 ' O ' HG23 ' B' ' 22' ' ' VAL . 48.3 mt-10 -59.2 -46.53 88.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.617 178.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.465 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 98.7 t -62.05 -46.33 96.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.761 178.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.07 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' B' ' 17' ' ' ALA . 50.2 mt -69.92 -32.44 70.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.972 178.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.589 HG12 HG23 ' A' ' 15' ' ' ILE . 85.6 t -64.41 -40.53 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.354 0.597 . . . . 0.0 109.497 174.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' B' ' 19' ' ' VAL . 67.2 mt -62.36 -52.17 64.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.124 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.89 -34.54 76.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.944 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -58.86 -32.83 69.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.419 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -106.6 8.72 31.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.706 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.5 35.08 17.69 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.305 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.422 ' HB3' ' HB3' ' B' ' 23' ' ' LEU . . . -61.18 129.73 42.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.398 -178.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 61.6 p -72.66 164.61 58.89 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.407 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.408 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 50.4 Cg_exo -54.89 -35.65 89.61 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.325 2.017 . . . . 0.0 111.505 173.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -59.94 -52.84 63.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.464 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.441 HD11 HG22 ' A' ' 12' ' ' VAL . 49.5 tp -65.21 -34.82 79.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.374 179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 94.4 m -55.13 -54.64 40.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.972 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.3 tt -73.19 -31.68 64.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.444 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 24.8 ttm -57.95 -44.66 87.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.421 0.629 . . . . 0.0 110.016 176.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.498 ' O ' HG13 ' B' ' 40' ' ' ILE . 50.2 mt -66.76 -37.79 80.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.196 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.06 -41.58 83.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.058 0.456 . . . . 0.0 110.558 174.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.81 -41.29 97.61 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.04 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -58.79 -40.4 83.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.653 0.263 . . . . 0.0 110.547 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 36' ' ' ILE . 76.7 mt -60.07 -57.56 11.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.574 178.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.533 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -54.96 -43.8 73.8 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 123.168 0.293 . . . . 0.0 111.351 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 27.1 m -65.32 -44.78 86.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.331 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -66.77 -32.84 74.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 110.443 -177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 40' ' ' ILE . 80.8 t -63.73 -44.28 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 173.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' B' ' 41' ' ' ALA . 96.8 mt -61.6 -34.02 74.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.712 177.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -73.65 -50.42 21.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.26 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -110.48 -67.11 1.01 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -172.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.03 49.2 1.48 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -168.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -163.38 164.11 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 174.612 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.56 146.66 23.63 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.259 178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.13 -39.38 72.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 0.0 111.39 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.1 t -67.2 -19.9 65.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.946 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -97.42 -18.94 18.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.912 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.666 ' HB3' HD11 ' A' ' 69' ' ' LEU . 95.2 mtt180 -51.39 -58.31 6.58 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -171.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.579 ' HE2' ' HB2' ' B' ' 59' ' ' GLU . 10.2 tptm -62.89 -45.06 94.31 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.956 -178.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -62.79 -50.23 71.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.746 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 16.5 tt -70.36 -30.88 44.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.361 -172.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.91 -41.36 59.87 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.049 0.452 . . . . 0.0 110.439 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . 0.579 ' HB2' ' HE2' ' B' ' 55' ' ' LYS . 38.8 tt0 -66.8 -41.87 86.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.105 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -66.91 -29.79 69.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.327 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.603 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 86.9 t80 -67.8 -49.1 64.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.191 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -58.7 -40.69 84.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.726 179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.14 -48.63 80.9 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.577 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.61 -35.97 81.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.001 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 29.0 tp -66.75 -34.3 77.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.358 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.537 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.2 mmt -73.68 -24.51 59.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.079 0.466 . . . . 0.0 110.007 176.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 22.2 t -73.57 -36.53 65.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.303 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 19.7 p -91.24 -7.28 51.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.115 0.483 . . . . 0.0 111.062 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.483 HD11 ' HA ' ' A' ' 55' ' ' LYS . 7.0 tt -63.65 124.91 22.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.183 178.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.87 142.74 42.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.492 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 21.3 p -106.47 145.37 30.88 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.721 -173.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -70.66 86.64 0.7 Allowed 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.91 2.407 . . . . 0.0 111.621 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.408 ' C ' ' HG1' ' B' ' 74' ' ' THR . 26.6 mtmt -89.73 28.51 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.558 -178.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.408 ' HG1' ' C ' ' B' ' 73' ' ' LYS . 41.9 p 51.79 -93.9 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.291 1.036 . . . . 0.0 112.775 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -144.89 130.11 18.61 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.303 -0.248 . . . . 0.0 110.961 -178.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 50.7 tp -79.32 96.57 6.01 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 160.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -47.41 98.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.37 0 O-C-N 124.406 1.066 . . . . 0.0 113.695 -160.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -150.27 128.07 11.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.304 -1.316 . . . . 0.0 107.791 172.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 30.3 p80 48.02 104.27 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.311 1.007 . . . . 0.0 112.766 -176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -58.27 -31.76 67.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.615 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -59.8 121.83 12.68 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -76.43 -69.42 0.51 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.799 -174.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 3.8 m80 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.198 -178.221 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.932 ' HB3' ' HD3' ' A' ' 2' ' ' PRO . 53.7 ttm . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 119.557 -0.259 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.932 ' HD3' ' HB3' ' A' ' 1' ' ' MET . 4.9 Cg_exo -80.43 125.41 5.68 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.96 1.773 . . . . 0.0 111.589 177.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.4 pt -76.43 -35.24 26.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.861 0.362 . . . . 0.0 110.921 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.2 t -171.83 150.6 2.66 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 p -160.89 -155.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.532 -175.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.2 tttm 71.02 21.27 4.97 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.796 0.808 . . . . 0.0 110.233 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.571 ' OH ' ' HB2' ' B' ' 31' ' ' GLU . 65.3 m-85 -96.01 151.91 19.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.738 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.646 ' HB ' ' HG2' ' A' ' 11' ' ' GLN . 58.9 m -67.84 123.36 20.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 173.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -57.41 -38.67 74.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.445 -175.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.621 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 11.5 mm-40 -52.3 -47.14 66.11 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.999 176.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.646 ' HG2' ' HB ' ' A' ' 8' ' ' THR . 11.8 mm100 -55.95 -50.71 70.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.458 -179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.544 HG22 HD11 ' B' ' 32' ' ' LEU . 45.0 t -61.65 -50.81 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.934 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.64 -43.29 93.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.631 -174.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 67.9 mmtt -75.35 -38.5 60.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.149 -174.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.442 ' O ' HG23 ' A' ' 19' ' ' VAL . 76.3 mt -63.53 -49.78 81.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD23 HG23 ' B' ' 36' ' ' ILE . 80.9 mt -56.03 -40.98 74.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.806 178.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.52 -53.88 52.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.162 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.564 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.1 mt-10 -65.08 -40.56 94.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.32 -177.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 71.3 t -60.99 -50.31 81.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.584 0.23 . . . . 0.0 110.792 178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -62.52 -36.28 82.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.64 -43.19 97.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 177.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 18' ' ' GLU . 84.7 t -61.57 -39.17 82.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.964 0.411 . . . . 0.0 110.658 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 45.7 mt -59.47 -51.86 68.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.179 176.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -68.84 -26.62 65.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.216 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -64.27 -38.9 92.68 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.762 178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -99.69 7.86 44.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.91 43.02 22.09 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.492 0.495 . . . . 0.0 111.297 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -65.1 132.29 48.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.605 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 m -75.05 163.88 65.11 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.089 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -50.08 14.39 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.66 2.24 . . . . 0.0 112.76 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -59.65 -41.93 91.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.772 0.32 . . . . 0.0 110.585 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 28' ' ' ALA . 39.8 tp -62.0 -49.29 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.223 177.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.531 HG23 HD13 ' A' ' 23' ' ' LEU . 54.0 m -57.27 -50.85 71.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.771 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 tt -68.85 -33.81 74.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.026 -175.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.466 ' HG3' HG21 ' B' ' 4' ' ' THR . 14.6 tmm? -63.7 -35.58 81.01 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 40' ' ' ILE . 67.4 mt -60.52 -46.57 95.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.4 175.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.38 92.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.024 0.44 . . . . 0.0 110.844 177.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -65.25 -38.8 95.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.822 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -61.14 -41.48 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 176.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 36' ' ' ILE . 48.6 mm -57.18 -62.03 1.05 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.122 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.065 175.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.6 75.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.707 -176.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.3 m -57.03 -49.08 76.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.954 0.406 . . . . 0.0 110.606 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -68.48 -40.23 81.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.302 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 40' ' ' ILE . 85.5 t -60.01 -47.4 91.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.725 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.991 HD13 HD12 ' B' ' 69' ' ' LEU . 88.0 mt -63.64 -40.59 97.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.49 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -79.36 -16.08 56.85 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -124.41 -63.55 1.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -175.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -104.94 62.96 0.7 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.909 0.336 . . . . 0.0 111.909 -169.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.44 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 2.9 p -168.84 150.54 1.08 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 172.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.19 135.64 53.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.985 -179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.82 -37.96 80.68 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.216 0.323 . . . . 0.0 111.754 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.3 m -68.86 -39.42 79.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.156 0.503 . . . . 0.0 110.247 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -78.27 -23.31 47.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.234 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -53.34 -48.61 68.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.748 -1.114 . . . . 0.0 112.923 -170.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.944 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -70.07 -45.28 67.39 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.858 0.361 . . . . 0.0 110.485 -176.713 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.2 mt -65.96 -45.07 83.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.246 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.7 tt -67.43 -26.16 35.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.373 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.37 -44.03 53.96 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.853 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -44.99 96.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.161 0.505 . . . . 0.0 110.365 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -64.85 -35.26 80.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.603 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.413 ' HE1' ' CA ' ' B' ' 38' ' ' GLY . 66.0 t80 -59.91 -52.06 67.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.402 175.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.27 96.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.737 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.455 HE21 ' N ' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -59.73 -47.74 84.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.175 178.727 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' N ' HE21 ' A' ' 63' ' ' GLN . . . -64.62 -39.66 94.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.911 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.2 tp -66.0 -47.16 75.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 33.0 tpp -71.23 -31.8 68.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.1 -176.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.8 p -77.2 -31.81 55.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.7 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.8 m -86.29 -1.06 57.16 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.531 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.811 HD11 ' HB3' ' B' ' 54' ' ' ARG . 62.8 tp -72.62 115.12 11.51 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -92.98 102.39 14.74 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.325 0.583 . . . . 0.0 111.144 -174.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.406 ' HB ' ' HD2' ' A' ' 72' ' ' PRO . 76.3 p -96.4 160.34 29.89 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.067 176.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 71' ' ' THR . 76.4 Cg_endo -79.81 -3.77 13.01 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.374 2.049 . . . . 0.0 112.17 176.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mptt 62.9 110.16 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.172 -177.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.0 t -74.53 148.26 41.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.86 -175.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -99.69 100.61 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.676 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.4 mt -95.5 -16.3 22.3 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.982 0.42 . . . . 0.0 110.496 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 77' ' ' GLU . 1.6 mp0 -63.3 97.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.46 178.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -141.04 118.75 11.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.064 0.459 . . . . 0.0 110.809 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.06 130.74 18.97 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 174.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -95.86 152.4 18.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.357 0.599 . . . . 0.0 111.499 -170.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.22 78.65 1.85 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.898 174.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -71.57 -30.14 65.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.069 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.231 -0.89 . . . . 0.0 109.836 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.928 0.394 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -87.56 173.03 5.53 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 122.708 2.272 . . . . 0.0 111.573 171.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.425 ' H ' HG13 ' B' ' 3' ' ' ILE . 0.0 OUTLIER -60.03 -54.09 39.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.258 0.551 . . . . 0.0 111.192 179.489 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.466 HG21 ' HG3' ' A' ' 35' ' ' MET . 9.6 m -71.22 -23.76 62.07 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.177 -0.92 . . . . 0.0 112.142 -175.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m 66.34 -87.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.743 -176.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' B' ' 7' ' ' TYR . 52.1 tttp 179.44 -44.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 -174.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.421 ' O ' ' HG2' ' B' ' 6' ' ' LYS . 83.0 m-85 59.38 -164.43 0.21 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.848 -173.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.554 ' HB ' ' HG3' ' B' ' 11' ' ' GLN . 27.1 m -79.78 111.58 16.23 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 168.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -61.94 -28.11 69.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.937 -173.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -69.26 -30.21 68.28 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.8 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.557 ' O ' HG13 ' B' ' 15' ' ' ILE . 22.7 mt-30 -64.22 -48.33 76.28 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.46 HG22 HD11 ' A' ' 32' ' ' LEU . 61.0 t -55.13 -50.59 62.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.434 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -54.59 -47.52 73.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.327 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -66.83 -36.6 82.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.276 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.557 HG13 ' O ' ' B' ' 11' ' ' GLN . 58.8 mt -67.42 -49.1 74.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.403 HD23 HG23 ' A' ' 36' ' ' ILE . 99.1 mt -56.27 -42.33 77.27 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.701 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.38 -52.04 66.98 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.256 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.525 ' O ' HG23 ' B' ' 22' ' ' VAL . 46.0 mt-10 -67.82 -38.45 83.27 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.058 -0.257 . . . . 0.0 111.136 -178.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.5 ' O ' HD13 ' B' ' 23' ' ' LEU . 65.3 t -64.69 -53.39 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.583 0.23 . . . . 0.0 111.178 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.32 -30.27 71.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.954 0.407 . . . . 0.0 110.871 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 tt -65.61 -35.21 80.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.533 177.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 18' ' ' GLU . 71.0 t -68.49 -43.6 83.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.2 0.524 . . . . 0.0 109.845 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.5 HD13 ' O ' ' B' ' 19' ' ' VAL . 4.7 mp -57.61 -48.87 78.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.865 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -68.38 -47.47 67.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.442 -176.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -68.92 -21.65 64.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -96.46 3.37 52.82 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.964 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.79 48.18 14.2 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.198 0.523 . . . . 0.0 111.004 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.1 123.37 21.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.865 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -58.37 151.44 49.04 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.164 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -51.61 -48.34 21.87 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.742 2.295 . . . . 0.0 113.058 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.571 ' HB2' ' OH ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -65.03 -41.86 94.88 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.544 HD11 HG22 ' A' ' 12' ' ' VAL . 54.8 tp -61.43 -42.2 98.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.329 177.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 96.6 m -53.18 -45.99 68.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.752 178.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.8 tt -75.7 -34.99 60.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.667 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.7 ttp -66.55 -32.16 73.33 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.94 0.4 . . . . 0.0 110.393 176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 15' ' ' ILE . 47.8 mt -64.88 -42.27 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.259 175.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.438 ' HA ' HD12 ' B' ' 40' ' ' ILE . . . -60.48 -36.23 77.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.076 0.465 . . . . 0.0 110.267 175.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.413 ' CA ' ' HE1' ' A' ' 61' ' ' PHE . . . -64.18 -41.78 98.23 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.071 175.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -61.21 -40.22 93.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.607 0.242 . . . . 0.0 110.376 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' B' ' 37' ' ' ALA . 84.8 mt -55.67 -58.65 4.11 Favored 'Isoleucine or valine' 0 C--O 1.231 0.106 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.06 175.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.521 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -56.0 -46.38 78.74 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.49 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 67.0 m -56.49 -53.78 53.44 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.939 0.4 . . . . 0.0 111.172 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -63.44 -37.16 86.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' B' ' 48' ' ' ARG . 69.4 t -68.21 -44.51 84.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.835 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.538 ' O ' HG12 ' B' ' 49' ' ' VAL . 94.1 mt -62.4 -45.14 94.48 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.873 0.368 . . . . 0.0 111.371 -178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -81.08 -23.08 38.71 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -172.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -125.87 -23.49 3.97 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -173.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.416 ' HB2' ' HA ' ' B' ' 44' ' ' VAL . 82.3 mtt180 -118.84 -6.93 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -171.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.538 HG12 ' O ' ' B' ' 45' ' ' LEU . 0.8 OUTLIER -119.61 162.96 17.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.631 -179.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . 0.57 ' HB3' ' HB2' ' B' ' 53' ' ' GLN . . . -65.36 138.56 58.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.461 -177.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.21 -41.92 94.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -66.15 -26.39 67.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.353 0.597 . . . . 0.0 110.61 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.57 ' HB2' ' HB3' ' B' ' 50' ' ' ALA . 8.2 tp60 -92.87 -17.48 24.0 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.441 -171.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.811 ' HB3' HD11 ' A' ' 69' ' ' LEU . 91.8 mtt180 -50.06 -59.97 3.39 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.892 0.701 . . . . 0.0 112.892 -172.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' B' ' 55' ' ' LYS . 9.7 tmtt? -68.86 -34.73 75.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.004 0.431 . . . . 0.0 110.464 -175.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -71.31 -47.79 54.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.833 -175.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.408 HG22 ' O ' ' B' ' 53' ' ' GLN . 16.8 tt -73.21 -32.21 37.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.66 -176.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.51 -35.02 78.3 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.156 0.503 . . . . 0.0 109.991 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.31 -49.9 69.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.675 176.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -58.91 -42.21 89.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.16 -47.84 80.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.837 177.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -64.23 -45.41 88.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.273 -179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -45.01 96.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.76 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.93 99.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.749 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 30.5 tp -63.02 -37.97 89.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.918 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.561 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 23.6 mmt -71.86 -24.32 61.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.044 0.45 . . . . 0.0 110.57 178.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 24.4 m -82.13 -26.03 33.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.839 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 20.9 p -95.8 3.58 53.63 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.464 0.649 . . . . 0.0 110.288 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.991 HD12 HD13 ' A' ' 45' ' ' LEU . 9.6 tt -90.4 107.18 18.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.131 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.23 131.68 39.44 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 4.9 t -127.2 86.18 59.32 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.495 0.664 . . . . 0.0 111.806 -171.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -94.48 99.84 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 122.92 2.413 . . . . 0.0 112.315 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -139.55 156.13 47.08 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.841 0.353 . . . . 0.0 110.334 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 2.1 p -67.06 125.51 26.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.216 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -100.12 14.13 31.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.337 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 87.2 mt -128.95 72.09 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.781 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -86.15 -14.52 43.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.632 0.73 . . . . 0.0 109.07 175.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -81.98 107.97 15.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.461 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -161.94 140.0 8.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.887 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 36.8 t60 -130.46 103.7 6.81 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -79.77 158.4 26.87 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 65.72 82.71 0.18 Allowed 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.769 0.668 . . . . 0.0 109.865 -171.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 22.5 p80 . . . . . 0 C--O 1.245 0.85 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.521 -179.478 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttp . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.835 0.35 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.69 168.28 9.72 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.803 2.336 . . . . 0.0 112.607 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.8 pt -121.37 -151.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.277 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.815 ' HA ' ' HB2' ' B' ' 31' ' ' GLU . 23.8 m -43.78 111.56 0.3 Allowed 'General case' 0 C--O 1.234 0.289 0 O-C-N 123.741 0.651 . . . . 0.0 111.632 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.523 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 6.1 m -80.99 161.7 24.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.118 -175.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -69.93 -42.92 72.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.91 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' B' ' 32' ' ' LEU . 67.1 m-85 59.69 -167.86 0.16 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.368 -178.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 11' ' ' GLN . 4.0 t -111.11 140.14 45.9 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.797 174.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -62.22 -31.48 72.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.284 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 7.5 tp10 -59.7 -53.59 56.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.51 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 15' ' ' ILE . 54.0 tt0 -62.15 -46.78 87.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.664 -177.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.52 HG22 HD11 ' B' ' 32' ' ' LEU . 57.4 t -61.64 -41.67 91.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.687 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -56.57 -45.27 81.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.692 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 67.6 mmtt -63.69 -42.18 98.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.531 -176.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 11' ' ' GLN . 39.7 mt -63.82 -51.96 63.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.089 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.448 ' CD2' HG23 ' B' ' 36' ' ' ILE . 85.5 mt -56.94 -41.36 78.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.308 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.44 93.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.321 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 22' ' ' VAL . 39.2 mt-10 -76.16 -32.0 58.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.327 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.53 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 78.1 t -60.86 -46.88 95.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 174.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -64.58 -31.83 73.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.671 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.19 -39.4 92.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.212 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 18' ' ' GLU . 99.8 t -65.49 -41.22 90.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.121 0.486 . . . . 0.0 110.22 177.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 62.7 mt -61.1 -49.66 76.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.28 177.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -60.14 -39.11 85.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.437 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -58.08 -43.88 87.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.205 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -94.77 7.81 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.595 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.93 42.54 28.63 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.425 0.631 . . . . 0.0 110.45 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -63.17 115.75 4.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.185 -176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.8 p -63.09 157.83 59.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.631 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HB3' ' O ' ' B' ' 48' ' ' ARG . 72.3 Cg_exo -50.35 -45.0 36.27 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.897 2.398 . . . . 0.0 112.406 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.702 ' HB3' ' HB ' ' B' ' 4' ' ' THR . 41.8 mt-10 -64.33 -45.57 87.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 28' ' ' ALA . 53.8 tp -61.19 -45.08 96.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.246 177.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.483 HG23 HD13 ' A' ' 23' ' ' LEU . 93.7 m -55.67 -51.56 66.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.481 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.24 -30.79 65.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.606 -176.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -67.45 -36.12 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.105 0.478 . . . . 0.0 110.05 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.48 HG23 HD23 ' B' ' 16' ' ' LEU . 34.6 mt -61.08 -45.68 98.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.439 174.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.28 83.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -61.25 -44.2 98.41 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.897 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -59.76 -46.84 87.93 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.582 -0.155 . . . . 0.0 110.582 177.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 44' ' ' VAL . 85.1 mt -53.58 -58.79 2.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.92 84.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -178.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.0 m -62.45 -42.74 99.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.399 -178.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -37.53 85.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.917 -179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 40' ' ' ILE . 86.2 t -65.73 -49.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.42 177.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' HA ' HG11 ' A' ' 49' ' ' VAL . 96.6 mt -58.15 -45.78 86.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.73 -178.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -77.72 -22.79 49.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.776 -174.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -106.81 -71.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -112.59 79.18 1.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -168.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 45' ' ' LEU . 4.2 p -172.42 159.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 172.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.88 125.07 24.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.462 0.173 . . . . 0.0 110.546 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.37 -37.75 67.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.363 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.3 p -73.81 -16.91 61.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.037 0.446 . . . . 0.0 111.051 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.49 ' HG3' ' HB ' ' A' ' 57' ' ' ILE . 8.6 tp-100 -97.5 -13.86 21.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.573 -178.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -51.89 -61.84 2.0 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -174.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -57.46 -44.77 85.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.711 0.291 . . . . 0.0 111.264 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.541 ' O ' ' HG3' ' A' ' 60' ' ' LYS . 57.8 mt -62.74 -51.05 68.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.637 -177.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.49 ' HB ' ' HG3' ' A' ' 53' ' ' GLN . 13.8 tt -72.61 -22.91 20.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.827 -174.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.68 -36.0 60.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.108 0.48 . . . . 0.0 109.94 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -48.34 78.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.697 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 56' ' ' LEU . 88.5 mttt -59.06 -41.7 88.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.238 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.464 ' HE2' ' HE2' ' B' ' 61' ' ' PHE . 83.0 t80 -58.74 -55.96 28.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.699 177.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.82 -43.14 85.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -64.88 -36.26 83.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.74 95.46 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.695 0.283 . . . . 0.0 110.597 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp -57.63 -41.92 82.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.983 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.555 ' HA ' ' HB2' ' A' ' 69' ' ' LEU . 54.7 mtt -85.18 -13.6 49.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.352 -175.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.8 t -82.82 -38.22 23.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.279 0.561 . . . . 0.0 109.49 174.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.5 t -97.65 14.82 25.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.745 HD21 ' HG2' ' B' ' 55' ' ' LYS . 23.7 tp -76.97 67.24 2.94 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.574 177.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -82.13 101.44 10.41 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.904 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.617 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 18.5 m -72.1 128.82 88.63 Favored Pre-proline 0 N--CA 1.446 -0.664 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 171.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -42.61 103.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.526 2.817 . . . . 0.0 113.762 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 71' ' ' THR . 94.2 mttt -118.23 -177.92 3.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.192 176.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 t -90.57 124.07 34.74 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.05 0.452 . . . . 0.0 110.064 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -103.47 -78.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.8 mt -124.29 81.19 1.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -126.5 90.19 3.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.807 -173.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -164.15 43.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.678 0.752 . . . . 0.0 109.166 175.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -137.48 13.86 2.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.873 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -68.8 -44.7 73.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 169.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -121.73 110.58 16.12 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 163.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -80.86 70.22 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.948 0.88 . . . . 0.0 111.768 -169.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 C--O 1.245 0.854 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.267 176.727 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.6 mtp . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.74 110.12 0.52 Allowed 'Trans proline' 0 C--O 1.238 0.493 0 C-N-CA 123.027 2.485 . . . . 0.0 113.357 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 6.0 tp -149.87 111.97 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.303 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . 0.702 ' HB ' ' HB3' ' A' ' 31' ' ' GLU . 5.0 t -62.89 -27.22 69.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.672 -176.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m 63.99 -77.83 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 O-C-N 123.68 0.613 . . . . 0.0 110.719 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -179.74 -25.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.229 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 62.15 -154.6 0.35 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.274 -177.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.525 ' HB ' ' HB3' ' B' ' 11' ' ' GLN . 4.8 m -62.03 111.36 1.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -64.26 -40.44 96.0 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -170.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.559 ' HG2' ' HD3' ' B' ' 14' ' ' LYS . 18.7 tt0 -70.0 -36.66 75.3 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.382 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.542 ' O ' HG13 ' B' ' 15' ' ' ILE . 8.6 tt0 -61.68 -46.22 90.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.342 -178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.8 -44.39 97.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.316 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -54.98 -46.28 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.485 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.559 ' HD3' ' HG2' ' B' ' 10' ' ' GLU . 1.4 mptm? -65.36 -42.91 92.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.558 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.542 HG13 ' O ' ' B' ' 11' ' ' GLN . 64.8 mt -63.69 -42.34 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.48 HD23 HG23 ' A' ' 36' ' ' ILE . 91.7 mt -59.26 -42.84 92.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.359 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.49 99.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.933 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.462 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.2 mt-10 -62.96 -46.7 86.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.91 177.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.493 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 81.5 t -59.86 -45.06 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.367 176.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.529 ' HA ' HD12 ' B' ' 23' ' ' LEU . . . -60.76 -36.02 77.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.086 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' B' ' 25' ' ' LYS . 55.0 mt -69.41 -32.4 71.36 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.983 177.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 18' ' ' GLU . 96.3 t -63.47 -40.17 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 174.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' B' ' 20' ' ' ALA . 39.0 mt -62.86 -53.3 56.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.023 176.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.11 -35.9 78.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.904 -178.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' B' ' 21' ' ' LEU . 13.4 tmtt? -68.41 -24.53 64.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.817 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -110.41 11.89 23.13 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.35 -0.218 . . . . 0.0 111.388 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 58.26 47.85 13.53 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.627 0.579 . . . . 0.0 111.292 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' B' ' 23' ' ' LEU . . . -85.85 115.43 23.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.923 178.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.721 ' HB2' ' OE2' ' B' ' 31' ' ' GLU . 4.7 m -69.47 161.76 71.57 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.344 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' B' ' 29' ' ' SER . 9.4 Cg_endo -52.96 -41.14 73.35 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.156 2.571 . . . . 0.0 113.653 -178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.815 ' HB2' ' HA ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -69.1 -40.41 78.41 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.266 -178.136 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 7' ' ' TYR . 57.0 tp -62.81 -42.23 99.63 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 172.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' B' ' 30' ' ' PRO . 53.5 m -53.29 -47.75 68.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.173 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 tt -69.11 -37.21 78.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.53 -177.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 48.1 ttp -65.54 -32.57 74.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.124 0.488 . . . . 0.0 109.98 176.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 16' ' ' LEU . 34.6 mt -64.36 -43.08 97.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.765 174.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.59 79.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.556 177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.81 -42.19 99.73 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.799 176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -60.35 -44.11 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.548 0.213 . . . . 0.0 110.601 176.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.471 ' O ' HG23 ' B' ' 44' ' ' VAL . 77.2 mt -56.89 -59.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.53 178.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.487 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -55.15 -48.71 73.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.656 -178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 34.5 m -61.09 -44.85 96.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.481 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' B' ' 47' ' ' GLN . 80.4 m-20 -65.1 -36.09 83.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.536 0.207 . . . . 0.0 110.785 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.471 HG23 ' O ' ' B' ' 40' ' ' ILE . 74.2 t -63.6 -43.82 98.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.7 0.286 . . . . 0.0 110.239 176.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.506 ' HA ' HG11 ' B' ' 49' ' ' VAL . 94.4 mt -63.22 -28.58 70.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.235 179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -73.17 -47.77 40.98 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.472 178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' B' ' 43' ' ' ASN . 10.0 pt20 -115.81 -62.56 1.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 -172.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 30' ' ' PRO . 93.8 mtt180 -85.96 59.16 5.46 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.506 HG11 ' HA ' ' B' ' 45' ' ' LEU . 8.0 p -166.56 152.03 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 172.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 131.75 51.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.155 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.48 -46.23 56.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.4 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -75.88 -13.33 60.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.827 0.346 . . . . 0.0 111.623 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.502 ' HG3' ' HB ' ' B' ' 57' ' ' ILE . 5.9 tp-100 -96.29 -16.54 21.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.422 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -48.37 -56.21 8.74 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -172.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.745 ' HG2' HD21 ' A' ' 69' ' ' LEU . 47.6 mtpt -75.89 -35.01 59.98 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.329 -175.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -65.5 -47.37 76.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.97 -179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.502 ' HB ' ' HG3' ' B' ' 53' ' ' GLN . 15.1 tt -71.06 -27.15 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.902 -177.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.09 -39.02 72.39 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.09 0.471 . . . . 0.0 110.282 176.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -65.03 -46.78 79.9 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 175.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.27 -38.45 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.933 -1.031 . . . . 0.0 110.574 177.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . 0.464 ' HE2' ' HE2' ' A' ' 61' ' ' PHE . 74.5 t80 -67.36 -48.44 67.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.003 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.71 94.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.307 -178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -67.9 -33.29 74.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.385 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.61 94.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.742 0.306 . . . . 0.0 110.404 176.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.63 -44.83 95.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.196 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 23.1 mmt -71.2 -29.89 65.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.432 -176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 16.9 p -84.59 -24.95 28.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.702 0.287 . . . . 0.0 111.067 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 18.2 m -94.3 2.02 55.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.372 0.606 . . . . 0.0 110.241 177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 tp -72.86 116.4 13.31 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.625 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -76.26 97.27 4.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.308 0.575 . . . . 0.0 111.861 -176.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' B' ' 73' ' ' LYS . 9.9 t -69.29 142.1 92.06 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.078 170.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.2 106.44 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.846 2.364 . . . . 0.0 112.166 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 71' ' ' THR . 58.2 mttp -95.32 144.3 25.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.764 -177.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.28 121.38 16.74 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.58 -176.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -87.34 130.62 34.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.992 176.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . 0.462 ' H ' HD12 ' B' ' 76' ' ' LEU . 6.0 mp -64.91 -31.05 72.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.364 0.602 . . . . 0.0 109.875 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.62 28.93 0.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.213 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -61.47 -30.32 70.52 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.764 0.316 . . . . 0.0 110.847 177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -89.29 101.21 13.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -124.09 179.47 4.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.693 -175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -98.9 159.2 15.12 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -160.14 134.14 7.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.992 -0.374 . . . . 0.0 109.992 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 71.2 m80 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.378 -0.82 . . . . 0.0 110.076 178.391 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.542 ' HG3' ' OE1' ' A' ' 53' ' ' GLN . 65.1 ttp . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -65.37 109.94 1.48 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.692 2.262 . . . . 0.0 111.162 174.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.1 tp -84.09 135.1 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.569 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 m -76.35 140.37 41.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.106 -177.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.3 t -145.32 160.88 40.85 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -89.85 -9.52 48.76 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 55.23 -152.09 0.37 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.233 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.76 ' HB ' ' HB2' ' A' ' 11' ' ' GLN . 18.8 m -88.69 131.5 34.98 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 175.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -53.63 -60.82 2.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.529 -175.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 42.3 mt-10 -64.51 -27.99 69.35 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.328 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.76 ' HB2' ' HB ' ' A' ' 8' ' ' THR . 59.0 tt0 -58.63 -51.99 67.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 48.9 t -64.85 -51.35 68.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.703 177.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.546 ' HA ' HD12 ' A' ' 16' ' ' LEU . 34.6 tt0 -65.03 -37.45 87.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.375 -172.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -76.97 -32.29 57.17 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 121.045 -0.262 . . . . 0.0 111.038 -178.103 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.4 mt -64.8 -42.17 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 172.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.614 HD23 HG23 ' B' ' 36' ' ' ILE . 91.9 mt -56.31 -46.25 79.9 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.22 174.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.7 88.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.687 -178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 22' ' ' VAL . 43.4 mt-10 -66.52 -44.89 81.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.64 0.257 . . . . 0.0 110.535 177.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.507 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 87.0 t -59.62 -46.87 92.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.115 0.483 . . . . 0.0 110.298 176.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.44 ' HA ' HD12 ' A' ' 23' ' ' LEU . . . -61.49 -33.61 74.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.81 178.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.7 tp -69.1 -38.43 78.95 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.478 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 18' ' ' GLU . 97.0 t -62.12 -36.58 75.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.548 0.69 . . . . 0.0 109.397 176.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 19' ' ' VAL . 73.7 mt -63.78 -51.33 65.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.086 175.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.95 -38.15 90.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.68 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 6.2 tmtm? -51.82 -42.13 62.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.294 175.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -99.25 7.06 46.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.114 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 55.05 40.13 31.83 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.834 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.37 131.37 50.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.627 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 55.1 m -76.85 162.16 71.23 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.988 179.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 29' ' ' SER . 82.1 Cg_exo -48.48 -47.16 21.2 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.295 2.663 . . . . 0.0 113.709 -177.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HB2' ' OH ' ' B' ' 7' ' ' TYR . 41.3 mt-10 -61.44 -47.56 85.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.776 0.322 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' CD1' HG22 ' B' ' 12' ' ' VAL . 47.2 tp -58.93 -40.51 84.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.299 178.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.47 HG23 HD13 ' A' ' 23' ' ' LEU . 92.9 m -55.35 -52.92 61.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.335 177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 tt -73.35 -31.94 64.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.538 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.6 ttm -60.0 -42.13 93.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.318 0.58 . . . . 0.0 110.1 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.613 HG23 HD23 ' B' ' 16' ' ' LEU . 71.4 mt -64.45 -40.03 87.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.758 178.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.93 -39.99 83.27 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.99 0.424 . . . . 0.0 110.388 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.13 -40.74 95.11 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.147 177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -61.33 -39.71 91.54 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 36' ' ' ILE . 77.6 mt -59.3 -55.31 24.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.289 176.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.636 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -54.03 -50.95 65.52 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.56 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.9 p -62.7 -48.33 79.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.24 -34.0 75.68 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 111.1 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 40' ' ' ILE . 76.9 t -66.34 -44.76 90.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.225 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 41' ' ' ALA . 86.7 mt -59.09 -49.14 79.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.219 177.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -53.55 -57.58 10.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.735 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -98.02 -44.36 6.68 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -167.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -92.8 -37.01 12.55 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.458 0.911 . . . . 0.0 113.458 -166.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.572 HG22 ' HB3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -91.3 151.26 3.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.338 -173.203 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.27 156.61 29.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.385 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HA ' ' HG2' ' A' ' 54' ' ' ARG . . . -60.0 -38.99 84.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.45 178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.7 t -64.3 -31.54 72.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.26 0.552 . . . . 0.0 110.342 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.572 ' HB3' HG22 ' A' ' 49' ' ' VAL . 10.3 tp60 -82.79 -21.54 34.53 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.123 -174.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 51' ' ' ALA . 25.4 mmt85 -43.68 -60.01 1.97 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 124.05 0.844 . . . . 0.0 112.644 -173.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -59.72 -49.79 76.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.051 0.453 . . . . 0.0 111.164 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.428 ' HB2' HE21 ' A' ' 53' ' ' GLN . 80.5 mt -66.51 -47.23 73.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.278 -174.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.922 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 15.8 tt -68.74 -30.15 46.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.799 -175.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.93 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.815 0.341 . . . . 0.0 110.667 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -73.88 -32.01 63.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.893 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.922 ' HD3' ' HA ' ' A' ' 57' ' ' ILE . 48.3 mtpt -53.74 -46.98 71.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.314 0.578 . . . . 0.0 109.883 170.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.53 ' HB2' HD21 ' B' ' 34' ' ' LEU . 57.9 t80 -60.66 -53.05 62.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.409 177.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.596 ' O ' ' HG2' ' A' ' 66' ' ' MET . . . -60.99 -42.78 99.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.71 -176.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -60.32 -53.8 53.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.674 0.273 . . . . 0.0 110.567 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.43 -35.41 70.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.759 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.6 tp -69.96 -40.78 75.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.596 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 23.2 mmt -73.43 -32.97 64.69 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.152 0.501 . . . . 0.0 110.406 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.1 m -71.83 -22.03 61.6 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.007 177.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.9 m -105.04 7.46 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.097 0.475 . . . . 0.0 110.745 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.536 HD13 HD13 ' B' ' 45' ' ' LEU . 58.6 tp -80.11 87.37 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.988 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -68.57 99.58 1.0 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.189 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.479 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 22.2 m -108.86 135.09 20.15 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.311 176.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 71' ' ' THR . 16.1 Cg_exo -69.75 38.1 0.25 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.203 2.602 . . . . 0.0 113.245 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' HA ' HD21 ' A' ' 76' ' ' LEU . 51.2 mttp -137.71 22.17 2.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.038 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.8 p -63.23 -49.15 75.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.427 176.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -137.24 113.87 10.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.488 174.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.427 HD21 ' HA ' ' A' ' 73' ' ' LYS . 97.5 mt -103.61 126.41 50.73 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.975 -178.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -87.68 97.63 10.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.409 0.623 . . . . 0.0 110.885 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -92.6 106.59 18.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 172.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -56.39 121.99 10.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.304 -0.862 . . . . 0.0 113.224 -167.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 70.88 -175.65 0.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 114.304 -1.317 . . . . 0.0 112.203 171.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -104.45 129.27 52.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.272 0.558 . . . . 0.0 111.924 -170.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -121.65 -2.74 9.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.647 175.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 . . . . . 0 C--O 1.246 0.905 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.648 177.732 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.635 0.255 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -70.02 94.53 0.55 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.428 2.085 . . . . 0.0 111.976 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.6 tt -131.94 124.57 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.071 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' THR . . . . . . . . . . . . . 19.7 m 72.24 140.09 0.05 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.352 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -60.97 137.4 58.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -77.03 -43.48 34.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.428 -176.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.436 ' OH ' ' HB2' ' A' ' 31' ' ' GLU . 98.6 m-85 61.56 -161.89 0.28 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.558 0.536 . . . . 0.0 109.95 -173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' B' ' 11' ' ' GLN . 2.0 p -87.42 126.12 34.69 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 172.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -65.03 -35.14 80.21 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.788 0.327 . . . . 0.0 110.776 -174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.49 -36.22 79.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.275 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . 0.529 ' HB2' ' OG1' ' B' ' 8' ' ' THR . 38.6 tt0 -63.82 -58.79 5.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.263 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' A' ' 32' ' ' LEU . 45.5 t -52.6 -56.8 5.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.309 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -50.75 -51.54 49.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.494 -0.776 . . . . 0.0 112.309 -175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -84.3 -19.3 33.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.994 -169.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.512 HG13 ' O ' ' B' ' 11' ' ' GLN . 76.4 mt -70.53 -41.31 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 170.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.613 HD23 HG23 ' A' ' 36' ' ' ILE . 95.7 mt -56.59 -41.84 77.68 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.228 174.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -46.77 87.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.221 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.413 ' O ' HG23 ' B' ' 22' ' ' VAL . 45.8 mt-10 -67.03 -44.32 80.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.895 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 78.5 t -60.8 -49.96 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 111.015 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.48 -32.84 74.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -64.33 -43.27 95.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.339 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 18' ' ' GLU . 99.2 t -61.74 -41.5 90.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.341 0.591 . . . . 0.0 110.313 178.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.527 HD13 HG23 ' B' ' 33' ' ' THR . 63.9 mt -64.8 -46.17 83.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.693 179.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.34 -37.54 85.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.058 0.456 . . . . 0.0 110.378 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -63.68 -38.26 90.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -87.39 7.37 29.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.33 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 61.6 36.62 16.68 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.51 0.506 . . . . 0.0 111.218 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.495 ' HA ' HD23 ' B' ' 32' ' ' LEU . . . -67.46 114.82 6.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.808 -179.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.457 ' OG ' ' HD2' ' B' ' 30' ' ' PRO . 4.9 t -71.48 153.64 93.7 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.246 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.457 ' HD2' ' OG ' ' B' ' 29' ' ' SER . 8.7 Cg_exo -35.19 -53.35 0.73 Allowed 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.297 3.331 . . . . 0.0 114.371 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -57.78 -46.25 84.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.889 0.376 . . . . 0.0 111.199 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.558 ' O ' HG12 ' B' ' 36' ' ' ILE . 53.9 tp -64.86 -47.75 76.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.979 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' THR . . . . . 0.527 HG23 HD13 ' B' ' 23' ' ' LEU . 52.4 m -55.2 -50.68 68.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.586 178.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.53 HD21 ' HB2' ' A' ' 61' ' ' PHE . 6.6 tt -69.71 -34.67 74.22 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.345 -176.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 39.9 ttp -69.36 -30.45 68.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.259 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.614 HG23 HD23 ' A' ' 16' ' ' LEU . 23.9 mm -58.11 -50.25 78.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 172.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.95 -37.12 81.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.008 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -60.84 -42.91 99.74 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.148 -0.549 . . . . 0.0 112.169 176.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -63.44 -41.84 98.67 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.564 HG12 ' O ' ' B' ' 36' ' ' ILE . 50.2 mm -54.46 -52.89 35.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.682 178.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' B' ' 45' ' ' LEU . . . -60.62 -43.59 97.32 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.686 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 85.6 m -58.37 -49.93 75.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' B' ' 47' ' ' GLN . 15.4 m120 -56.98 -46.54 82.16 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 121.04 0.448 . . . . 0.0 110.313 179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.581 HG13 ' HB2' ' B' ' 48' ' ' ARG . 55.7 t -61.32 -42.5 93.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.789 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.536 HD13 HD13 ' A' ' 69' ' ' LEU . 95.1 mt -63.08 -23.68 67.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.931 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.421 ' N ' HD22 ' B' ' 46' ' ' ASN . 0.9 OUTLIER -90.06 -46.87 8.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.86 179.138 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' B' ' 43' ' ' ASN . 5.9 pt20 -134.35 26.26 3.8 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -166.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.581 ' HB2' HG13 ' B' ' 44' ' ' VAL . 12.7 mmm180 -142.02 -36.23 0.42 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.347 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.528 HG21 HG21 ' B' ' 57' ' ' ILE . 9.9 p -88.37 152.93 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.18 -178.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 152.55 44.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.438 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.37 -46.9 87.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.351 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -29.59 69.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.299 0.571 . . . . 0.0 110.092 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' B' ' 56' ' ' LEU . 10.4 tp60 -88.54 -6.39 57.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.441 -176.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -60.03 -66.91 0.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -168.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -72.32 -30.4 64.74 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.844 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.455 ' HB3' HE21 ' B' ' 53' ' ' GLN . 4.7 tt -62.99 -45.73 91.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.963 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.528 HG21 HG21 ' B' ' 49' ' ' VAL . 9.8 tt -72.86 -26.16 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.87 -48.3 82.25 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.112 0.482 . . . . 0.0 110.134 174.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.89 -47.26 72.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.15 176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' B' ' 57' ' ' ILE . 86.9 tttt -52.73 -49.72 64.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.262 -179.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -69.17 -48.76 61.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.517 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . 0.466 ' O ' ' HG2' ' B' ' 66' ' ' MET . . . -59.88 -43.39 94.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.403 -177.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.98 -36.95 80.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.094 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -40.62 96.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.035 0.445 . . . . 0.0 110.146 176.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 25.3 tp -63.49 -40.63 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.358 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' B' ' 62' ' ' ALA . 25.6 mmt -72.97 -29.49 63.1 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.357 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 27.1 t -72.85 -24.02 60.83 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 176.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 17.2 m -98.4 9.19 43.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.547 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.58 105.99 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.225 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -68.99 105.39 2.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.912 0.387 . . . . 0.0 111.039 178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' THR . . . . . . . . . . . . . 3.1 t -125.87 82.47 64.29 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-O 121.664 0.745 . . . . 0.0 110.057 173.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_endo -91.32 109.63 0.31 Allowed 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 123.242 2.628 . . . . 0.0 112.113 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -83.57 9.03 12.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.481 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 11.5 p -73.43 102.41 3.77 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 121.318 0.58 . . . . 0.0 111.733 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -118.09 6.31 12.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 33.8 tp -81.34 -6.13 58.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.118 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -113.53 150.12 33.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.279 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -110.41 134.4 52.35 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 50.81 22.52 1.17 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.246 1.018 . . . . 0.0 113.017 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -120.57 21.17 11.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 122.015 0.912 . . . . 0.0 108.671 171.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -130.46 32.48 4.43 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.443 -1.253 . . . . 0.0 107.896 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -102.15 125.82 48.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.586 -1.188 . . . . 0.0 110.54 -172.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 20.9 p80 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.279 176.908 . . . . . . . . 0 0 . 1 stop_ save_