data_5ji4_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 5ji4 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 t . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.818 -0.438 . . . . 73.530000000000001 109.818 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -114.04 144.62 42.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.971 0.415 . . . . 74.239999999999995 110.373 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.6 t -130.24 129.02 42.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.28 -0.637 . . . . 72.109999999999999 109.28 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.508 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 29.1 t70 -113.48 103.76 11.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.176 0.512 . . . . 72.019999999999996 110.213 -175.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.612 HG21 ' SG ' ' A' ' 24' ' ' CYS . 9.6 t -113.18 124.2 69.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.88 -0.6 . . . . 53.219999999999999 109.762 -174.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t30 68.99 2.17 3.47 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.123 -0.49 . . . . 64.219999999999999 111.301 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.85 -10.4 32.16 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 111.86 -0.496 . . . . 62.439999999999998 111.86 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -95.13 149.9 20.79 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.788 -0.449 . . . . 72.420000000000002 109.788 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.3 m -113.21 128.04 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.343 0.592 . . . . 72.340000000000003 110.997 -172.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -125.59 168.2 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.154 -0.93 . . . . 72.310000000000002 109.287 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.3 p -113.72 139.0 49.45 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.251 -0.278 . . . . 74.109999999999999 110.251 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 20' ' ' CYS . 28.6 m -137.95 154.58 28.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.498 . . . . 62.299999999999997 110.082 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -66.87 -39.8 87.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.283 -0.417 . . . . 72.239999999999995 110.902 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.679 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 37.4 m -140.02 157.11 46.17 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.015 0.436 . . . . 75.25 111.471 -175.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 15.7 m -61.28 -34.79 75.77 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.974 -0.557 . . . . 71.150000000000006 110.442 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 2.3 pm0 -68.78 -31.77 71.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.687 -0.688 . . . . 62.219999999999999 110.162 177.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.679 ' HG2' ' HB2' ' A' ' 16' ' ' SER . 20.1 mm-40 -67.72 -38.75 84.02 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.504 -0.554 . . . . 70.519999999999996 109.504 175.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.498 ' HB2' HG21 ' A' ' 14' ' ' VAL . 2.9 t -55.46 -56.96 14.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.919 -0.582 . . . . 74.409999999999997 110.041 171.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -48.39 -53.66 16.87 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.692 -0.686 . . . . 73.209999999999994 110.932 178.316 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -59.7 -41.81 91.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.077 -0.511 . . . . 74.409999999999997 111.188 -178.434 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.1 tp -58.15 -48.39 80.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.158 0.504 . . . . 71.519999999999996 110.241 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.612 ' SG ' HG21 ' A' ' 7' ' ' VAL . 60.6 m -61.59 -36.4 80.58 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.571 -0.741 . . . . 72.120000000000005 110.867 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 15.3 mmt180 -67.1 -37.82 84.58 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.116 -0.493 . . . . 71.420000000000002 110.511 176.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.718 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.93 -39.31 87.31 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 116.141 -0.481 . . . . 75.530000000000001 110.546 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.0 -25.94 59.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.773 -0.648 . . . . 62.409999999999997 110.062 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.28 41.0 27.28 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.764 -0.653 . . . . 61.119999999999997 111.754 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.43 128.96 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 110.14 -0.319 . . . . 74.329999999999998 110.14 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.7 p -77.11 -33.65 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 71.209999999999994 110.844 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -66.65 97.08 0.42 Allowed 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.235 -0.654 . . . . 75.530000000000001 109.235 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.2 t -155.12 128.08 8.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.807 -0.633 . . . . 73.450000000000003 109.625 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 39.5 mtp180 -128.9 164.29 23.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.033 -0.728 . . . . 72.120000000000005 109.033 -177.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.15 142.11 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.177 0.513 . . . . 51.539999999999999 111.702 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 . . . . . 0 C--N 1.329 -0.285 0 N-CA-C 108.338 -0.986 . . . . 63.32 108.338 174.313 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.931 -0.396 . . . . 65.319999999999993 109.931 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 14.4 pt-20 -113.55 160.26 18.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.675 -0.491 . . . . 75.120000000000005 109.675 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -137.76 135.03 35.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.296 -0.411 . . . . 63.43 109.991 -174.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.58 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 3.7 m-20 -113.87 132.73 55.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.219 -0.659 . . . . 65.239999999999995 109.219 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.659 HG21 ' SG ' ' A' ' 24' ' ' CYS . 20.6 t -134.18 104.48 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 123.581 0.753 . . . . 75.420000000000002 109.356 -173.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 68.93 -68.77 0.17 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.566 0.746 . . . . 72.329999999999998 109.394 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.67 12.59 0.22 Allowed Glycine 0 CA--C 1.519 0.288 0 CA-C-N 115.234 -0.893 . . . . 71.030000000000001 112.254 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -109.85 144.24 38.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.333 -0.617 . . . . 62.340000000000003 109.333 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.2 m -113.9 133.59 55.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 64.319999999999993 111.174 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -136.85 175.7 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.637 -0.71 . . . . 74.310000000000002 109.909 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 p -113.81 140.58 48.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.257 -0.429 . . . . 65.010000000000005 110.251 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 20' ' ' CYS . 31.5 m -139.11 167.17 20.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.097 -0.501 . . . . 61.439999999999998 109.949 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.436 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 15.2 m -64.51 -45.78 85.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.767 0.317 . . . . 73.310000000000002 110.412 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -165.7 -173.78 2.85 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.649 0.737 . . . . 73.219999999999999 111.344 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.673 ' HA ' HG23 ' A' ' 34' ' ' VAL . 24.4 t -52.57 -49.37 65.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.593 -1.185 . . . . 73.430000000000007 111.176 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -57.33 -40.05 77.16 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.84 0.352 . . . . 73.420000000000002 110.756 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HG2' ' HB2' ' A' ' 15' ' ' SER . 5.9 mp0 -64.67 -48.64 74.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.142 -0.481 . . . . 75.200000000000003 110.418 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.524 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 43.9 t -55.62 -52.03 65.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.015 0.436 . . . . 73.329999999999998 110.437 178.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -52.38 -52.05 55.69 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.707 -0.678 . . . . 75.25 110.71 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.26 -44.79 88.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.967 -0.56 . . . . 74.140000000000001 110.179 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.37 -57.29 13.41 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.36 -0.382 . . . . 74.030000000000001 110.766 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.659 ' SG ' HG21 ' A' ' 7' ' ' VAL . 68.8 m -59.42 -43.17 93.11 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.105 -0.498 . . . . 72.129999999999995 111.142 -177.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 25' ' ' ARG . 51.1 mtt180 -71.64 -26.93 62.75 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.244 -0.435 . . . . 71.200000000000003 110.992 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.53 -39.62 73.95 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.514 -0.551 . . . . 73.209999999999994 109.514 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.4 -25.23 61.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.542 -0.754 . . . . 74.340000000000003 109.987 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.16 13.82 61.41 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.75 -0.659 . . . . 63.210000000000001 111.885 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.12 118.82 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.948 -0.39 . . . . 61.200000000000003 109.948 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -78.38 -35.56 47.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 45.020000000000003 110.191 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -69.03 98.96 1.02 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.32 -0.622 . . . . 51.409999999999997 109.32 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 38.2 t -160.55 139.82 10.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.997 -0.372 . . . . 73.209999999999994 109.997 -175.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -143.76 137.27 27.96 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.199 0.199 . . . . 75.420000000000002 110.654 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.673 HG23 ' HA ' ' A' ' 17' ' ' SER . 4.4 p -113.58 118.62 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.21 0.528 . . . . 73.129999999999995 110.321 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 53.4 t-80 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 71.299999999999997 109.786 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.8 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.903 -0.406 . . . . 71.5 109.903 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' HB2' ' HB2' ' A' ' 35' ' ' HIS . 4.9 mp0 -112.77 129.21 56.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.382 -0.599 . . . . 75.239999999999995 109.382 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.2 t -117.52 130.53 56.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.584 -0.735 . . . . 62.329999999999998 109.096 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.672 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 1.7 m-20 -112.96 111.25 21.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.543 -0.54 . . . . 71.25 109.543 -176.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' A' ' 9' ' ' GLY . 40.0 t -113.33 110.15 31.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 123.719 0.637 . . . . 73.430000000000007 109.824 -174.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t30 69.83 -22.14 0.16 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.504 0.722 . . . . 74.010000000000005 112.365 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . 151.43 -17.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.282 -0.727 . . . . 44.149999999999999 111.282 -176.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.58 148.27 24.17 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.943 -0.392 . . . . 74.450000000000003 109.943 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.5 m -113.65 119.1 36.29 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.095 0.474 . . . . 74.0 110.792 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.55 168.48 9.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.616 -0.72 . . . . 71.129999999999995 110.091 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 p -113.93 132.03 56.09 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.542 -0.54 . . . . 75.340000000000003 109.542 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -129.41 166.39 27.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.991 -0.55 . . . . 62.329999999999998 110.384 -175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.649 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 15.3 t -79.1 -28.07 42.99 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.375 -0.375 . . . . 70.0 111.231 -176.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -163.89 171.67 15.05 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.695 0.284 . . . . 73.219999999999999 110.831 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 p -61.25 -47.88 83.99 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.791 0.329 . . . . 55.420000000000002 110.326 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 1.7 pm0 -55.46 -32.85 63.12 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.931 -0.577 . . . . 71.120000000000005 110.789 174.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.649 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 11.7 mm-40 -71.3 -35.3 71.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.52 -0.309 . . . . 73.200000000000003 110.386 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.448 ' SG ' HG12 ' A' ' 34' ' ' VAL . 17.8 t -59.81 -58.55 8.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.41 -0.359 . . . . 71.319999999999993 110.666 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.55 -40.3 86.79 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.319 0.581 . . . . 74.200000000000003 110.172 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 68.9 ttt180 -54.37 -48.01 72.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.962 -1.017 . . . . 73.439999999999998 110.457 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.55 -45.18 92.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.734 -0.666 . . . . 73.430000000000007 109.439 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.5 m -59.66 -36.48 76.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.783 -0.644 . . . . 64.209999999999994 110.975 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.431 HH11 ' HA ' ' A' ' 25' ' ' ARG . 11.2 mmm180 -72.66 -30.95 64.71 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.582 -0.281 . . . . 74.310000000000002 110.503 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -69.27 -43.82 73.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 72.400000000000006 110.184 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.8 mt -75.38 -34.22 61.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.316 -0.402 . . . . 74.129999999999995 110.936 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.21 42.57 4.9 Favored Glycine 0 CA--C 1.517 0.218 0 CA-C-N 116.104 -0.498 . . . . 52.210000000000001 112.137 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -124.06 143.02 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 110.029 -0.36 . . . . 64.219999999999999 110.029 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.6 m -96.22 -31.73 12.8 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.967 0.413 . . . . 65.540000000000006 111.247 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -77.62 104.56 8.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 63.109999999999999 110.881 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.672 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 64.4 m -147.49 159.24 43.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 61.219999999999999 110.273 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -144.76 148.54 34.22 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.31 -0.626 . . . . 64.230000000000004 109.31 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.448 HG12 ' SG ' ' A' ' 20' ' ' CYS . 23.7 m -113.49 148.14 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 73.340000000000003 111.154 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 33.2 m-70 . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 108.864 -0.791 . . . . 74.319999999999993 108.864 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.7 m . . . . . 0 C--O 1.231 0.094 0 N-CA-C 109.832 -0.432 . . . . 72.439999999999998 109.832 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -113.81 136.51 52.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.516 0.674 . . . . 73.019999999999996 112.394 -168.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.7 t -114.01 139.16 49.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.865 -1.061 . . . . 53.5 108.85 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.508 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 11.9 t70 -114.9 143.21 45.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.586 -0.524 . . . . 74.120000000000005 109.586 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -135.74 99.75 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.362 -0.607 . . . . 72.150000000000006 109.362 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 62.99 3.76 1.33 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 122.889 0.476 . . . . 73.040000000000006 111.578 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.11 -28.47 3.49 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.167 -0.539 . . . . 33.219999999999999 112.46 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -75.05 143.96 43.24 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.807 -0.442 . . . . 72.420000000000002 109.807 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.2 m -113.53 133.26 55.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 73.219999999999999 110.991 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -129.68 173.82 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.402 -0.817 . . . . 75.439999999999998 109.004 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -113.34 135.05 54.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.043 0.449 . . . . 73.200000000000003 110.569 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 22.7 m -140.97 153.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.562 -0.745 . . . . 72.120000000000005 109.552 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.0 t -63.74 -30.46 71.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.755 -0.202 . . . . 73.450000000000003 110.879 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -169.38 176.64 5.03 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.361 0.601 . . . . 74.040000000000006 111.15 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -62.08 -33.58 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.433 -0.803 . . . . 64.439999999999998 111.243 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.41 -45.24 88.8 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.468 -0.567 . . . . 52.200000000000003 109.468 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.541 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . 12.8 tp10 -65.23 -40.0 93.49 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.115 -0.948 . . . . 63.439999999999998 109.563 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.611 ' SG ' HG13 ' A' ' 34' ' ' VAL . 41.3 t -58.17 -54.07 51.13 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.948 -0.569 . . . . 73.120000000000005 110.945 176.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.648 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 32.6 mt-10 -61.36 -33.9 74.4 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.486 -0.324 . . . . 74.120000000000005 111.034 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 65.3 ttt180 -58.98 -46.41 88.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.73 -0.668 . . . . 74.299999999999997 109.638 175.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 tp -62.2 -46.14 90.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.703 -0.68 . . . . 74.140000000000001 110.629 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -53.06 -56.03 19.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.121 0.486 . . . . 71.010000000000005 110.968 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.648 ' NH1' ' HB3' ' A' ' 21' ' ' GLU . 80.7 mtt85 -68.29 -32.27 72.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.539 -0.755 . . . . 73.099999999999994 111.049 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.31 -45.26 92.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 72.430000000000007 110.389 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.46 -26.93 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 72.219999999999999 110.345 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.37 14.04 54.54 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.733 -0.667 . . . . 64.530000000000001 112.078 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.05 132.89 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.308 . . . . 74.430000000000007 110.474 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.5 p -94.34 -39.23 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 74.430000000000007 110.287 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -72.81 87.12 1.27 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.916 -0.584 . . . . 72.430000000000007 110.776 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 29.4 p -152.11 147.3 26.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.227 -0.897 . . . . 64.439999999999998 108.972 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 50.7 mtp180 -121.7 147.84 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 63.329999999999998 110.918 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.611 HG13 ' SG ' ' A' ' 20' ' ' CYS . 35.7 m -113.83 134.69 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 74.230000000000004 110.83 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.4 p80 . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 73.219999999999999 109.541 171.406 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 16' ' ' SER . 61.2 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.45 0.643 . . . . 72.430000000000007 111.352 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -113.8 142.89 45.51 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.661 -1.237 . . . . 75.340000000000003 107.661 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.4 m -138.52 146.11 41.55 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.987 0.422 . . . . 74.109999999999999 111.242 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 17.1 t70 -113.45 139.02 49.27 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.121 -1.066 . . . . 74.430000000000007 108.121 174.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.48 ' C ' ' H ' ' A' ' 9' ' ' GLY . 61.0 t -140.29 104.3 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.05 -0.722 . . . . 74.129999999999995 109.05 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 69.56 -27.62 0.16 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.574 0.546 . . . . 73.319999999999993 112.417 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . 155.57 -15.2 0.46 Allowed Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.419 -0.672 . . . . 73.310000000000002 111.419 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -91.5 147.42 23.03 Favored 'General case' 0 CA--C 1.528 0.135 0 N-CA-C 109.525 -0.546 . . . . 72.230000000000004 109.525 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.7 m -113.74 137.25 51.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 70.349999999999994 110.498 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -133.24 162.07 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 75.5 109.403 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.4 p -113.85 131.2 56.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.652 -0.499 . . . . 75.329999999999998 109.652 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -131.39 179.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 74.5 110.301 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t -64.03 -76.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 65.430000000000007 110.454 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.406 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 6.8 m -141.89 -174.5 4.1 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.132 -0.486 . . . . 71.109999999999999 110.288 -176.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 m -51.32 -37.33 47.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.344 -0.389 . . . . 73.120000000000005 110.955 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -52.79 -62.69 1.49 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.577 -0.738 . . . . 74.519999999999996 109.942 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.26 -33.95 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.977 -1.011 . . . . 75.310000000000002 110.409 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.635 ' SG ' HG21 ' A' ' 34' ' ' VAL . 6.8 t -61.94 -60.4 3.68 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.653 -0.703 . . . . 51.009999999999998 110.784 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.0 -39.76 86.88 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.33 0.586 . . . . 64.219999999999999 110.388 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 16.0 mmt180 -55.64 -42.98 75.76 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.211 -0.904 . . . . 75.310000000000002 110.872 174.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.433 HD21 HG23 ' A' ' 7' ' ' VAL . 7.3 tt -63.62 -44.03 95.13 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.537 -0.542 . . . . 62.130000000000003 109.537 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.2 m -54.18 -53.21 56.48 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.358 0.599 . . . . 73.329999999999998 110.16 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -73.64 -17.57 61.14 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.31 -0.859 . . . . 74.549999999999997 111.098 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -73.74 -45.87 49.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.198 -0.455 . . . . 71.329999999999998 109.832 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.7 mt -78.7 -21.05 48.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.959 -0.564 . . . . 74.420000000000002 110.116 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.91 11.53 61.55 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.69 -0.686 . . . . 75.430000000000007 111.992 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 t -104.94 113.43 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.96 -0.385 . . . . 75.239999999999995 109.96 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.0 m -76.6 -23.56 53.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.222 0.534 . . . . 72.140000000000001 110.36 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -69.2 91.1 0.5 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.753 -0.658 . . . . 74.450000000000003 109.941 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.9 p -155.07 160.31 40.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.284 -0.417 . . . . 74.510000000000005 110.64 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 23.9 mmt180 -132.15 151.23 51.9 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.89 0.476 . . . . 72.010000000000005 110.318 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.635 HG21 ' SG ' ' A' ' 20' ' ' CYS . 45.4 t -113.74 130.44 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 64.129999999999995 110.008 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 . . . . . 0 C--N 1.33 -0.279 0 N-CA-C 109.172 -0.677 . . . . 74.319999999999993 109.172 -179.654 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.9 t . . . . . 0 C--O 1.236 0.37 0 CA-C-O 120.926 0.393 . . . . 53.450000000000003 110.176 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -113.71 136.05 53.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.013 -0.54 . . . . 74.420000000000002 110.027 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.57 118.81 26.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.784 -1.191 . . . . 65.140000000000001 107.784 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 7.3 m-20 -112.88 108.99 18.15 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.253 0.549 . . . . 71.209999999999994 110.39 -170.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.6 t -115.07 123.06 70.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.348 -0.842 . . . . 74.109999999999999 110.191 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 t30 64.46 -0.29 0.95 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.062 0.545 . . . . 53.140000000000001 111.877 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.91 -24.37 7.93 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.634 -0.587 . . . . 64.319999999999993 111.634 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -83.53 156.65 22.7 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.982 -0.377 . . . . 72.409999999999997 109.982 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.5 m -113.59 124.4 52.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.256 0.551 . . . . 60.450000000000003 111.374 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -121.88 144.18 49.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.401 -1.333 . . . . 71.310000000000002 107.401 172.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -113.49 137.94 50.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.394 0.616 . . . . 52.229999999999997 111.806 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -133.12 179.79 4.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 114.886 -1.052 . . . . 71.030000000000001 109.288 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 t -92.69 -50.73 5.44 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 121.1 -0.24 . . . . 72.349999999999994 110.813 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 8.1 m -111.02 146.67 36.29 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.021 0.438 . . . . 73.120000000000005 112.003 -174.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.3 t -56.98 -35.82 69.61 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.79 -0.641 . . . . 74.340000000000003 109.427 174.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.33 -48.85 73.56 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.366 -0.834 . . . . 65.430000000000007 108.951 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' HG3' ' HB2' ' A' ' 16' ' ' SER . 50.2 mt-10 -66.19 -36.96 84.46 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.384 -0.825 . . . . 64.420000000000002 111.787 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.9 t -59.67 -63.48 1.28 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.796 0.332 . . . . 73.519999999999996 110.698 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 6.5 mm-40 -53.27 -45.42 68.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.106 -0.497 . . . . 54.25 110.443 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -54.47 -48.57 71.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.369 -0.832 . . . . 70.319999999999993 110.688 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 63.6 tp -59.98 -55.44 34.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 72.129999999999995 110.275 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.3 m -59.9 -37.25 78.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.029 -0.532 . . . . 73.239999999999995 111.679 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 25.5 mmt-85 -77.9 -25.14 48.29 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.71 0.291 . . . . 60.520000000000003 110.356 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -78.42 -24.64 46.08 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.494 -0.558 . . . . 75.209999999999994 109.494 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 90.9 mt -79.91 -33.96 39.42 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.075 -0.713 . . . . 62.350000000000001 109.075 171.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.29 25.4 26.36 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.104 -0.953 . . . . 74.209999999999994 112.099 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.79 136.11 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.159 -0.311 . . . . 63.009999999999998 110.159 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.5 m -91.48 -33.82 15.05 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.375 -0.375 . . . . 73.099999999999994 111.838 -175.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -80.33 48.04 0.98 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.299 0.571 . . . . 73.519999999999996 111.53 -175.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 11.6 t -113.8 143.69 44.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 52.420000000000002 109.779 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -131.87 146.53 52.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.715 -0.476 . . . . 75.420000000000002 109.715 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.74 138.62 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 62.520000000000003 111.027 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.0 t60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 75.299999999999997 109.764 178.367 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.2 m . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.986 0.422 . . . . 73.120000000000005 110.427 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.36 159.7 19.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.64 . . . . 53.399999999999999 109.554 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.9 t -142.29 139.3 31.83 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.699 -0.682 . . . . 73.120000000000005 109.211 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.419 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 9.8 t70 -113.65 135.8 53.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.357 -0.979 . . . . 72.329999999999998 108.357 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.44 HG21 ' SG ' ' A' ' 24' ' ' CYS . 44.1 t -139.82 103.07 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.073 -0.714 . . . . 74.540000000000006 109.073 -174.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 61.5 11.83 4.05 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.245 0.545 . . . . 75.299999999999997 111.084 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.07 -29.09 5.66 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.182 -0.533 . . . . 60.240000000000002 112.503 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -81.47 143.96 31.71 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.008 -0.367 . . . . 64.109999999999999 110.008 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.7 m -114.17 117.68 31.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.924 0.392 . . . . 73.349999999999994 111.158 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -113.75 168.13 10.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.511 . . . . 75.409999999999997 109.744 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.0 p -113.48 131.84 55.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.044 0.449 . . . . 73.230000000000004 110.215 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 20' ' ' CYS . 26.7 m -125.19 163.55 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 74.319999999999993 111.193 -172.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.0 t -62.0 -30.17 70.77 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.924 -0.58 . . . . 74.319999999999993 111.771 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.9 p -167.36 170.04 11.82 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.485 0.66 . . . . 70.430000000000007 111.811 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 m -55.8 -43.52 76.93 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.088 -0.96 . . . . 63.210000000000001 110.424 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 14.4 pt-20 -66.49 -38.03 86.37 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 109.73 -0.47 . . . . 71.329999999999998 109.73 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.37 -31.42 72.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.083 -0.508 . . . . 65.109999999999999 110.357 -177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.58 ' SG ' HG21 ' A' ' 34' ' ' VAL . 11.8 t -55.6 -67.1 0.31 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.903 0.382 . . . . 73.310000000000002 111.19 174.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -59.77 -39.27 84.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.045 0.45 . . . . 64.019999999999996 110.304 -179.031 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -55.71 -41.87 74.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.321 -0.854 . . . . 74.310000000000002 110.801 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.4 tp -66.09 -47.96 72.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.094 -0.503 . . . . 74.420000000000002 109.835 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 96.5 m -57.14 -38.4 73.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 74.310000000000002 110.627 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -67.44 -33.77 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.058 0.456 . . . . 72.109999999999999 110.138 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -33.22 75.14 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.854 -0.612 . . . . 75.450000000000003 109.678 175.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.06 -27.64 35.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.741 -0.663 . . . . 73.140000000000001 110.804 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.99 15.23 49.53 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 116.143 -0.48 . . . . 63.210000000000001 112.037 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 57.9 t -110.54 139.23 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.727 0.298 . . . . 75.5 110.297 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 p -108.45 -16.65 14.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.397 -0.365 . . . . 71.319999999999993 111.096 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -77.94 79.93 4.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.405 0.621 . . . . 65.040000000000006 110.106 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 86.0 m -138.76 -179.92 6.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.948 -1.024 . . . . 72.310000000000002 110.211 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 55.2 ttt180 -152.72 151.9 31.06 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.319 -0.623 . . . . 74.329999999999998 109.319 175.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.58 HG21 ' SG ' ' A' ' 20' ' ' CYS . 49.0 t -113.19 140.58 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.992 -0.373 . . . . 73.239999999999995 109.992 -177.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.78 0.324 . . . . 62.219999999999999 111.007 -179.097 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.284 0.564 . . . . 62.130000000000003 110.72 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.86 165.46 12.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.725 -0.67 . . . . 73.040000000000006 110.124 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.6 t -141.05 135.52 31.12 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.243 -0.651 . . . . 74.030000000000001 109.243 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -113.7 135.45 53.93 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.117 -0.697 . . . . 72.109999999999999 109.117 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 43.6 t -139.29 104.5 2.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.193 -0.669 . . . . 64.030000000000001 109.193 -173.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 7.6 t30 69.1 2.81 3.77 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.152 0.501 . . . . 51.420000000000002 110.989 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.15 -15.44 18.37 Favored Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.679 -0.569 . . . . 42.399999999999999 111.679 -175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -80.07 137.65 36.82 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.991 -0.744 . . . . 75.439999999999998 108.991 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.5 m -113.75 116.75 29.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.292 0.567 . . . . 74.239999999999995 111.318 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -113.86 173.38 6.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.214 -0.903 . . . . 75.140000000000001 109.72 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p -113.96 140.25 48.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.796 0.332 . . . . 75.099999999999994 110.557 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.7 m -142.73 155.94 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.155 -0.475 . . . . 63.009999999999998 110.08 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -84.82 -13.22 51.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.747 -0.206 . . . . 71.409999999999997 111.145 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.5 p -156.57 156.68 34.0 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.496 0.665 . . . . 75.409999999999997 111.888 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 p -60.64 -30.6 69.98 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.457 -0.792 . . . . 65.25 109.543 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.89 -45.9 91.02 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.385 -0.825 . . . . 73.329999999999998 109.443 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.1 -39.6 94.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.285 -0.871 . . . . 44.530000000000001 110.868 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -56.47 -56.42 21.4 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 120.925 0.393 . . . . 74.120000000000005 110.57 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -56.96 -45.47 82.82 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.067 -0.515 . . . . 61.039999999999999 110.339 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -53.16 -46.19 68.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.424 -0.807 . . . . 71.239999999999995 110.608 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.8 tp -64.8 -58.54 5.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.399 -0.364 . . . . 73.120000000000005 110.412 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.0 t -53.8 -52.88 58.87 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.433 0.635 . . . . 60.329999999999998 111.34 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -69.53 -34.32 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.533 -0.758 . . . . 74.540000000000006 111.628 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HD3' ' C ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -65.85 -48.45 71.55 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.764 -0.458 . . . . 75.439999999999998 109.764 176.549 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.97 -31.41 71.76 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.917 -0.583 . . . . 75.530000000000001 110.221 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.13 34.39 7.62 Favored Glycine 0 CA--C 1.508 -0.389 0 N-CA-C 110.816 -0.913 . . . . 75.209999999999994 110.816 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 30' ' ' THR . 44.4 t -106.72 154.18 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.949 -0.626 . . . . 71.140000000000001 110.021 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 29' ' ' VAL . 13.5 t -118.8 177.81 4.71 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.071 -0.714 . . . . 70.030000000000001 109.071 172.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 t30 64.47 47.59 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.676 0.751 . . . . 55.350000000000001 109.419 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 p -113.86 149.43 35.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.598 -0.728 . . . . 73.140000000000001 110.11 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -143.25 156.37 44.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 62.399999999999999 109.689 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.59 138.55 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.692 0.282 . . . . 62.329999999999998 110.523 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.408 . . . . 65.430000000000007 110.366 -179.532 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.234 0.26 0 N-CA-C 109.847 -0.427 . . . . 64.239999999999995 109.847 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 12.2 pt-20 -132.13 163.42 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 74.400000000000006 110.583 -177.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.4 t -150.31 130.95 13.98 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.02 -0.733 . . . . 75.040000000000006 109.02 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.673 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 11.3 t70 -113.03 101.2 9.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.081 -0.711 . . . . 64.310000000000002 109.081 -178.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.567 HG22 ' SG ' ' A' ' 32' ' ' CYS . 7.6 p -113.39 132.21 62.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 114.971 -1.013 . . . . 70.25 109.922 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.7 t30 66.22 4.39 3.13 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.974 -0.557 . . . . 64.010000000000005 111.156 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.45 -11.29 33.26 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.214 -0.517 . . . . 73.439999999999998 112.548 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 6' ' ' ASP . 54.3 mt-10 -101.93 148.58 25.16 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.988 -0.375 . . . . 73.510000000000005 109.988 178.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 30.8 m -113.01 117.26 31.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.367 0.603 . . . . 72.450000000000003 111.174 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -113.81 177.59 4.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.097 -0.956 . . . . 73.349999999999994 109.181 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 41.3 p -113.77 134.13 54.95 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.944 -0.391 . . . . 65.439999999999998 109.944 177.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.74 158.54 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 70.329999999999998 110.884 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.2 p -65.38 -43.86 89.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.833 -0.621 . . . . 74.109999999999999 111.004 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -152.42 169.14 23.3 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.422 0.63 . . . . 73.140000000000001 111.616 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 t -58.83 -40.64 84.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.503 -0.771 . . . . 62.409999999999997 110.12 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.62 -31.14 72.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.776 -0.647 . . . . 73.310000000000002 110.546 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -70.41 -37.79 74.52 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.476 -0.564 . . . . 73.420000000000002 109.476 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -57.39 -60.48 3.58 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.873 -0.603 . . . . 53.340000000000003 110.833 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.3 -40.34 85.85 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.877 0.37 . . . . 73.340000000000003 110.95 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -54.12 -49.95 68.0 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.82 -0.627 . . . . 72.430000000000007 110.401 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.28 -43.54 96.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 75.219999999999999 110.395 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.1 m -56.8 -56.78 17.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 54.340000000000003 110.86 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.85 -31.9 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 73.099999999999994 110.439 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -67.66 -48.22 67.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 75.319999999999993 110.51 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -76.0 -14.31 60.23 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.084 -0.507 . . . . 73.239999999999995 110.844 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 29.17 35.12 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 116.062 -0.517 . . . . 74.219999999999999 112.106 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.39 139.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.751 -0.462 . . . . 64.230000000000004 109.751 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 44.9 p -97.43 -28.39 14.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.751 0.31 . . . . 62.439999999999998 111.577 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -105.7 118.87 37.68 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.06 0.457 . . . . 72.5 111.276 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.673 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 61.5 m -142.06 164.83 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.13 -0.941 . . . . 74.129999999999995 109.131 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.521 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 10.5 ttm180 -131.67 127.48 37.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.733 -0.469 . . . . 72.120000000000005 109.733 175.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.83 133.61 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.957 0.408 . . . . 75.239999999999995 111.365 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.535 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 27.1 t-80 . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 115.761 -0.654 . . . . 75.299999999999997 109.534 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--O 1.231 0.112 0 N-CA-C 109.871 -0.418 . . . . 75.530000000000001 109.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.462 ' HG2' HG23 ' A' ' 13' ' ' THR . 42.4 mt-10 -113.57 158.15 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.178 -0.465 . . . . 64.540000000000006 109.816 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' SG ' HG22 ' A' ' 14' ' ' VAL . 87.3 m -147.31 165.92 28.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.389 -0.369 . . . . 74.420000000000002 110.852 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.3 t70 -141.47 151.28 43.22 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.455 -0.572 . . . . 72.540000000000006 109.455 177.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.608 HG23 ' SG ' ' A' ' 24' ' ' CYS . 53.9 t -141.03 99.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.998 -0.742 . . . . 74.200000000000003 108.998 -177.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 56.35 10.09 0.61 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.039 0.535 . . . . 74.530000000000001 112.278 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.55 -32.86 2.34 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 120.809 -0.71 . . . . 72.340000000000003 112.906 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -83.8 142.25 30.79 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 110.17 -0.308 . . . . 75.530000000000001 110.17 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.9 m -113.48 133.34 55.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.963 0.411 . . . . 75.230000000000004 111.277 -173.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -128.63 178.92 5.98 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.662 -0.699 . . . . 73.349999999999994 110.048 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.462 HG23 ' HG2' ' A' ' 4' ' ' GLU . 19.5 p -133.48 135.71 44.65 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.215 -0.291 . . . . 73.109999999999999 110.215 174.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.49 HG23 ' HB2' ' A' ' 20' ' ' CYS . 27.0 m -132.6 170.61 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 71.409999999999997 111.134 -176.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.522 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 37.0 t -66.04 -48.41 71.18 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.105 -0.498 . . . . 74.209999999999994 110.695 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.6 p -153.54 172.74 16.7 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.378 -0.374 . . . . 70.150000000000006 110.778 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 p -56.55 -33.54 66.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 65.349999999999994 110.682 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.31 -58.01 10.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.744 -0.662 . . . . 62.539999999999999 110.04 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.522 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 19.8 mm-40 -58.43 -33.08 69.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.274 -0.875 . . . . 64.129999999999995 110.827 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.776 ' SG ' HG23 ' A' ' 34' ' ' VAL . 9.4 t -62.66 -55.71 24.38 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.658 -0.701 . . . . 72.510000000000005 110.225 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 81.6 mm-40 -54.84 -51.4 65.98 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.59 -0.732 . . . . 75.340000000000003 109.789 177.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -50.57 -45.15 57.02 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.32 -0.4 . . . . 75.25 110.954 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.3 tp -61.25 -61.56 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 74.450000000000003 110.736 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.608 ' SG ' HG23 ' A' ' 7' ' ' VAL . 72.6 m -60.72 -43.24 98.1 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 116.477 -0.329 . . . . 70.109999999999999 111.846 -174.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 20.0 mmt180 -66.72 -41.29 88.17 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 110.145 -0.317 . . . . 62.32 110.145 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.3 -41.14 97.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.471 -0.331 . . . . 63.340000000000003 110.413 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 93.8 mt -61.5 -35.09 76.72 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.416 -0.587 . . . . 62.409999999999997 109.416 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.39 23.64 9.43 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.557 -0.747 . . . . 43.130000000000003 112.001 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.74 116.89 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.848 -0.427 . . . . 64.120000000000005 109.848 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.0 m -75.28 -38.33 60.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.955 -0.566 . . . . 60.350000000000001 110.348 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -70.97 84.82 0.69 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.661 0.743 . . . . 73.209999999999994 109.605 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t -136.51 162.28 33.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.507 -1.224 . . . . 43.299999999999997 108.606 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 38.2 ttm180 -143.55 143.11 31.39 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.402 -0.222 . . . . 75.439999999999998 110.402 -175.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.776 HG23 ' SG ' ' A' ' 20' ' ' CYS . 44.7 t -116.61 140.49 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.413 -0.358 . . . . 75.219999999999999 110.486 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--O 1.222 -0.372 0 N-CA-C 109.697 -0.482 . . . . 74.129999999999995 109.697 177.108 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.497 0.665 . . . . 42.009999999999998 110.743 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.513 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 41.3 mt-10 -132.98 174.26 10.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.249 -0.887 . . . . 64.329999999999998 109.869 -177.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 t -149.05 133.39 17.48 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.517 -0.92 . . . . 70.25 108.517 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.497 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 7.1 m-20 -113.3 104.35 12.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.169 0.509 . . . . 71.540000000000006 111.014 -172.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.498 HG21 ' SG ' ' A' ' 24' ' ' CYS . 56.5 t -113.13 110.54 32.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.628 -0.715 . . . . 75.549999999999997 109.871 -175.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.8 t30 59.41 21.16 9.5 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.446 0.641 . . . . 75.109999999999999 110.877 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.62 -19.5 47.39 Favored Glycine 0 C--N 1.329 0.139 0 C-N-CA 121.172 -0.537 . . . . 60.299999999999997 112.316 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.93 143.61 41.54 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.425 -0.583 . . . . 74.319999999999993 109.425 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.6 m -113.42 119.39 37.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.138 0.494 . . . . 50.409999999999997 110.774 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -113.7 168.27 9.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.589 -0.732 . . . . 74.430000000000007 109.108 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 1.5 p -113.55 134.99 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 70.439999999999998 110.606 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 20' ' ' CYS . 26.7 m -138.16 168.03 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 72.319999999999993 110.476 -177.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.1 m -63.44 -46.44 86.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.911 -0.586 . . . . 55.140000000000001 110.946 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 p -169.15 -174.55 2.04 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.32 -0.4 . . . . 73.439999999999998 110.45 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 m -50.47 -40.35 50.58 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.029 -0.532 . . . . 75.329999999999998 110.88 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -50.72 -55.37 16.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.319 -0.855 . . . . 65.019999999999996 110.776 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.54 -27.99 58.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.471 -0.786 . . . . 73.230000000000004 111.264 -174.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HB2' HG21 ' A' ' 14' ' ' VAL . 35.2 t -60.05 -59.6 5.17 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 109.431 -0.581 . . . . 52.420000000000002 109.431 174.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 45.5 mt-10 -57.92 -43.24 86.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.592 -0.731 . . . . 74.549999999999997 110.309 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 22' ' ' ARG . 45.3 ttp180 -59.2 -41.31 88.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.421 -0.354 . . . . 72.129999999999995 111.137 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 57.2 tp -64.34 -48.49 75.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.015 0.436 . . . . 63.340000000000003 110.114 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.498 ' SG ' HG21 ' A' ' 7' ' ' VAL . 55.7 m -63.97 -39.05 93.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.881 -0.6 . . . . 74.340000000000003 111.048 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 84.9 mtp180 -65.33 -38.83 91.35 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.797 -0.446 . . . . 75.239999999999995 109.797 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -59.87 -46.7 88.47 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.693 -0.685 . . . . 60.130000000000003 109.714 175.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 85.9 mt -68.92 -21.61 64.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.476 -0.784 . . . . 71.420000000000002 110.261 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.42 44.06 22.9 Favored Glycine 0 C--N 1.334 0.448 0 N-CA-C 111.096 -0.801 . . . . 73.409999999999997 111.096 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG11 HG13 ' A' ' 7' ' ' VAL . 13.3 p -129.82 131.71 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.405 -0.398 . . . . 54.329999999999998 110.628 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.6 p -86.9 -29.71 21.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.948 0.404 . . . . 71.239999999999995 110.029 176.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -69.15 78.08 0.35 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.687 0.756 . . . . 75.439999999999998 109.615 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 8.9 t -150.19 148.04 28.45 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.401 -1.272 . . . . 75.109999999999999 108.743 -174.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 30.9 mtp180 -138.76 162.53 34.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.411 -0.959 . . . . 71.209999999999994 108.411 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.1 t -112.77 117.11 54.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.152 -0.684 . . . . 72.409999999999997 109.152 -176.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 3.7 t-160 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.865 -0.607 . . . . 74.230000000000004 110.407 -171.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.672 ' SG ' ' HA ' ' A' ' 16' ' ' SER . 15.0 m . . . . . 0 C--O 1.236 0.35 0 CA-C-O 120.786 0.327 . . . . 72.530000000000001 110.706 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -113.13 135.01 54.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.749 -0.834 . . . . 71.439999999999998 108.749 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 88.5 m -133.91 147.11 51.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.987 0.422 . . . . 61.43 111.425 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.459 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 18.2 t70 -113.85 151.41 32.17 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.935 -0.765 . . . . 62.210000000000001 108.935 173.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.2 t -143.13 99.73 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.904 -0.776 . . . . 72.019999999999996 108.904 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.461 ' ND2' ' HB3' ' A' ' 31' ' ' ASN . 11.8 m120 57.82 19.62 5.85 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.179 0.437 . . . . 73.450000000000003 112.179 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.56 7.53 34.19 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.69 -0.767 . . . . 61.240000000000002 113.084 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -112.8 140.53 47.51 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.465 -0.568 . . . . 74.120000000000005 109.465 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.0 m -113.42 124.3 52.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.217 0.532 . . . . 72.319999999999993 111.694 -170.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -134.36 162.19 32.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.384 -0.825 . . . . 75.329999999999998 109.422 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.1 p -113.72 140.12 48.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.633 0.254 . . . . 72.430000000000007 110.352 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 20' ' ' CYS . 27.0 m -125.96 160.1 33.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.26 -0.427 . . . . 74.540000000000006 110.219 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 t -69.53 -24.74 63.78 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.608 -0.269 . . . . 73.310000000000002 111.536 -176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.672 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 22.3 t -166.81 169.69 13.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.729 0.299 . . . . 74.120000000000005 110.928 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -63.33 -37.45 87.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.068 -0.515 . . . . 63.43 110.268 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 16.6 tp10 -58.78 -50.49 73.75 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.369 -0.604 . . . . 72.209999999999994 109.369 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -56.81 -35.63 68.99 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.781 -0.645 . . . . 73.230000000000004 110.947 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.81 ' SG ' HG21 ' A' ' 34' ' ' VAL . 11.7 t -59.05 -49.27 78.52 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 109.717 -0.475 . . . . 64.040000000000006 109.717 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 57.8 mm-40 -56.48 -50.25 72.31 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-N 115.627 -0.715 . . . . 63.409999999999997 110.254 175.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 29.9 mmt85 -50.85 -56.57 11.57 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.206 -0.452 . . . . 63.119999999999997 110.729 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.55 -50.66 72.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 73.319999999999993 111.289 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.5 -50.41 73.84 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.129 -0.487 . . . . 61.340000000000003 110.941 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 24.7 mmt180 -71.0 -28.6 64.54 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.429 -0.351 . . . . 70.519999999999996 110.505 -177.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 8.9 tmtt? -68.26 -45.81 72.13 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.312 -0.625 . . . . 52.140000000000001 109.312 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.55 -30.61 68.45 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.921 -0.581 . . . . 75.329999999999998 109.84 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.06 31.48 7.63 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.798 -0.637 . . . . 73.209999999999994 111.954 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.76 143.86 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.092 -0.336 . . . . 75.140000000000001 110.092 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.2 m -101.12 -32.88 10.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.09 0.472 . . . . 74.530000000000001 110.528 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.461 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 23.5 t-20 -93.21 83.6 4.66 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.234 0.54 . . . . 43.329999999999998 110.962 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 67.5 m -126.61 135.67 51.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.375 -0.829 . . . . 73.140000000000001 108.787 174.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -113.95 132.4 55.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.872 -0.418 . . . . 72.200000000000003 109.872 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.81 HG21 ' SG ' ' A' ' 20' ' ' CYS . 40.4 t -113.79 133.69 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.989 0.423 . . . . 75.430000000000007 111.581 -175.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.511 -0.768 . . . . 65.400000000000006 109.024 171.488 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.234 0.26 0 N-CA-C 109.337 -0.616 . . . . 73.140000000000001 109.337 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.57 172.55 6.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.199 0.524 . . . . 72.099999999999994 110.693 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.1 t -144.15 140.61 29.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.333 -0.849 . . . . 71.319999999999993 109.278 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.532 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 9.9 t70 -113.79 133.25 55.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.919 -0.771 . . . . 71.219999999999999 108.919 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.8 t -137.93 102.47 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.195 -0.668 . . . . 74.319999999999993 109.195 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 61.68 15.97 7.38 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.048 0.539 . . . . 72.439999999999998 111.153 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.22 -4.82 31.64 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.013 -0.613 . . . . 65.549999999999997 112.931 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.512 ' O ' ' HA ' ' A' ' 6' ' ' ASP . 12.6 tp10 -93.06 148.31 22.11 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.957 -0.386 . . . . 74.319999999999993 109.957 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.0 m -113.86 117.15 30.61 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.243 0.544 . . . . 73.200000000000003 111.67 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -114.06 175.53 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.992 -0.744 . . . . 72.430000000000007 108.992 172.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 p -113.92 136.84 52.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.745 0.307 . . . . 65.019999999999996 110.682 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG23 ' HB2' ' A' ' 20' ' ' CYS . 23.5 m -137.59 168.6 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 62.210000000000001 111.015 -176.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.433 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 4.6 m -62.23 -39.01 91.38 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.924 -0.58 . . . . 70.340000000000003 110.935 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.2 t -172.68 177.75 2.84 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.77 -0.65 . . . . 74.5 109.473 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -55.41 -39.63 70.46 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.024 0.44 . . . . 75.120000000000005 110.735 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.72 -48.41 75.22 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.663 -0.698 . . . . 65.450000000000003 109.647 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.498 ' CD ' HH21 ' A' ' 22' ' ' ARG . 7.2 tp10 -62.34 -36.85 83.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.19 -0.914 . . . . 74.010000000000005 110.134 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.492 ' HB2' HG23 ' A' ' 14' ' ' VAL . 37.7 t -60.98 -45.86 93.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.975 -0.557 . . . . 64.450000000000003 110.617 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -66.15 -42.89 88.42 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.575 -0.528 . . . . 74.109999999999999 109.575 -177.383 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.498 HH21 ' CD ' ' A' ' 19' ' ' GLU . 20.8 mtm180 -60.89 -44.83 96.56 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 116.261 -0.427 . . . . 70.239999999999995 111.05 177.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.06 -43.91 97.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.024 0.44 . . . . 74.409999999999997 110.144 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.0 t -56.32 -47.67 78.28 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.772 -0.649 . . . . 73.439999999999998 110.079 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 2.8 mmp_? -67.55 -29.45 68.83 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.635 -0.711 . . . . 75.329999999999998 111.162 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 55.5 mmtt -67.97 -46.88 70.15 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.839 0.352 . . . . 55.409999999999997 110.535 176.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.92 -29.76 70.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.955 -0.566 . . . . 71.340000000000003 109.654 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.69 19.17 30.24 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 115.578 -0.737 . . . . 73.109999999999999 111.623 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.73 154.77 3.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 122.701 0.4 . . . . 64.420000000000002 110.574 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.3 p -111.9 -33.61 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.191 0.519 . . . . 53.350000000000001 109.878 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -74.2 89.65 2.03 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.636 -0.711 . . . . 72.329999999999998 110.004 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 83.0 m -144.78 157.6 44.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.228 -0.442 . . . . 75.329999999999998 109.889 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.532 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 17.7 ttp180 -149.16 156.3 41.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.25 -0.648 . . . . 71.209999999999994 109.25 -175.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.8 m -113.69 149.57 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.984 0.421 . . . . 74.530000000000001 111.726 -173.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--N 1.332 -0.169 0 N-CA-C 109.238 -0.653 . . . . 73.450000000000003 109.238 176.071 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.233 0.235 0 N-CA-C 109.346 -0.613 . . . . 74.219999999999999 109.346 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -125.84 146.63 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 122.141 0.176 . . . . 71.019999999999996 110.764 -174.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 85.8 m -140.43 144.22 36.01 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.788 0.328 . . . . 62.210000000000001 111.706 -176.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.547 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 16.8 t70 -113.46 109.2 18.29 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.586 -0.734 . . . . 71.329999999999998 109.106 175.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.64 HG11 ' HB3' ' A' ' 32' ' ' CYS . 4.2 m -113.33 101.51 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 123.192 0.597 . . . . 71.319999999999993 110.252 -178.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.427 ' HB2' HG13 ' A' ' 29' ' ' VAL . 66.0 t30 64.14 19.67 11.86 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.549 -0.751 . . . . 71.329999999999998 110.891 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.12 -14.73 36.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.218 -0.515 . . . . 53.109999999999999 112.366 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.622 ' HB2' HG22 ' A' ' 7' ' ' VAL . 46.5 mm-40 -82.95 140.2 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.4 -0.592 . . . . 71.349999999999994 109.4 175.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.9 m -113.77 109.56 18.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.909 0.385 . . . . 65.510000000000005 110.32 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -120.06 167.47 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 73.519999999999996 109.823 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -113.75 132.98 55.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.831 0.348 . . . . 73.349999999999994 110.601 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' HB2' ' A' ' 20' ' ' CYS . 30.7 m -121.4 171.33 10.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.011 -0.541 . . . . 74.409999999999997 110.951 -176.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 m -86.95 -23.13 25.21 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.146 -0.479 . . . . 72.310000000000002 111.799 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -166.73 171.83 11.12 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.581 0.229 . . . . 71.150000000000006 110.441 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.461 ' HA ' HG21 ' A' ' 34' ' ' VAL . 21.8 p -59.05 -43.97 91.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.540000000000006 109.68 174.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.62 -47.42 79.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.414 -0.812 . . . . 73.319999999999993 110.35 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -62.27 -32.67 73.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.769 -0.65 . . . . 64.409999999999997 110.261 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.555 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 10.7 t -67.39 -46.97 71.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.202 -0.453 . . . . 64.310000000000002 109.966 178.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' O ' ' HD2' ' A' ' 25' ' ' ARG . 18.9 mm-40 -58.04 -42.74 86.01 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.792 -0.64 . . . . 71.510000000000005 109.94 175.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -61.11 -47.76 84.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.234 -0.893 . . . . 72.109999999999999 109.9 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.07 -39.72 94.69 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.607 -0.724 . . . . 74.209999999999994 110.701 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.654 ' SG ' ' NH2' ' A' ' 25' ' ' ARG . 35.1 t -61.44 -47.77 84.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.073 -0.512 . . . . 63.119999999999997 110.166 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.654 ' NH2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.88 -39.54 90.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.69 0.281 . . . . 75.510000000000005 110.599 175.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -56.5 -47.96 78.17 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.049 -0.523 . . . . 72.230000000000004 110.902 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.502 ' HB2' HG22 ' A' ' 29' ' ' VAL . 82.8 mt -83.81 -22.12 31.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 73.310000000000002 110.471 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.12 50.24 13.4 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.055 -0.818 . . . . 75.25 111.055 -177.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.502 HG22 ' HB2' ' A' ' 27' ' ' LEU . 61.4 t -88.19 145.21 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 75.030000000000001 110.644 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p -75.5 -63.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.84 -0.618 . . . . 61.229999999999997 110.441 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -103.62 105.96 16.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.413 -0.812 . . . . 73.349999999999994 110.945 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.64 ' HB3' HG11 ' A' ' 7' ' ' VAL . 2.2 p -124.88 120.33 31.36 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.741 -0.466 . . . . 65.519999999999996 109.741 174.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 34' ' ' VAL . 19.5 tpt85 -113.82 130.81 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.37 -0.604 . . . . 62.109999999999999 109.37 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.555 ' HB ' ' SG ' ' A' ' 20' ' ' CYS . 7.3 p -113.67 140.38 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.254 -0.276 . . . . 64.010000000000005 110.254 -177.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.4 p80 . . . . . 0 C--N 1.328 -0.328 0 N-CA-C 109.397 -0.594 . . . . 72.150000000000006 109.397 177.064 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.464 ' HB2' HG22 ' A' ' 14' ' ' VAL . 73.5 m . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.959 0.409 . . . . 74.439999999999998 110.258 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.71 123.4 49.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.766 -0.827 . . . . 74.349999999999994 108.766 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.8 m -119.67 144.21 47.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.446 0.906 . . . . 75.530000000000001 113.446 -166.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 8.1 t70 -113.63 101.31 9.21 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.698 -1.137 . . . . 63.399999999999999 108.336 172.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.0 t -113.71 110.72 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 122.983 0.513 . . . . 74.219999999999999 110.38 -175.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 t30 63.17 22.2 13.25 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.441 0.638 . . . . 71.549999999999997 110.324 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 -17.11 59.27 Favored Glycine 0 C--N 1.33 0.23 0 CA-C-N 115.949 -0.568 . . . . 75.040000000000006 111.956 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.26 146.22 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.797 -0.445 . . . . 71.099999999999994 109.797 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 m -113.73 113.55 25.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.861 0.363 . . . . 75.0 110.359 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -132.17 161.37 33.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.048 -0.524 . . . . 74.430000000000007 110.34 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 p -113.66 133.06 55.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.302 -0.408 . . . . 51.439999999999998 110.063 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 20' ' ' CYS . 32.4 m -126.08 165.43 24.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.945 -0.571 . . . . 64.040000000000006 110.745 -174.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m -75.81 -38.19 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 75.230000000000004 111.668 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 m -146.72 158.45 43.91 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.886 0.374 . . . . 72.239999999999995 110.958 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 11.2 p -56.84 -49.8 74.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.939 -0.573 . . . . 51.310000000000002 110.739 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -57.6 -41.96 82.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.786 -0.643 . . . . 72.450000000000003 110.788 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.59 -36.88 81.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 110.118 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.521 ' HB2' HG21 ' A' ' 14' ' ' VAL . 28.3 t -56.93 -47.38 80.74 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.269 0.557 . . . . 71.420000000000002 109.925 175.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.55 -39.8 95.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.468 -0.787 . . . . 75.510000000000005 110.345 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -62.6 -46.25 89.15 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 116.079 -0.51 . . . . 75.549999999999997 110.743 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.06 -42.01 99.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.039 0.447 . . . . 71.510000000000005 109.914 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.3 t -60.16 -47.54 85.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.762 -0.653 . . . . 64.209999999999994 110.261 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -26.76 62.37 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.27 0.557 . . . . 64.5 110.191 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -66.86 -45.05 79.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.557 -0.747 . . . . 75.439999999999998 109.237 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.18 -24.5 57.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 75.409999999999997 110.337 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.67 42.99 6.63 Favored Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.797 -0.638 . . . . 75.099999999999994 111.971 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -112.22 151.39 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 122.487 0.315 . . . . 54.229999999999997 110.176 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 p -103.55 -33.56 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.215 0.531 . . . . 74.310000000000002 110.531 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -88.69 97.1 10.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 73.439999999999998 110.584 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 3.1 p -151.19 119.09 6.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.557 -0.747 . . . . 43.340000000000003 109.046 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -113.64 135.21 54.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.554 -0.535 . . . . 73.420000000000002 109.554 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.0 136.31 52.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.039 0.447 . . . . 71.549999999999997 111.476 -174.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 108.941 -0.763 . . . . 73.310000000000002 108.941 173.794 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HB2' HG21 ' A' ' 14' ' ' VAL . 97.5 m . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.739 0.304 . . . . 74.540000000000006 110.777 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 35' ' ' HIS . 36.9 mt-10 -115.29 125.35 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.63 -0.507 . . . . 74.200000000000003 109.63 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 11' ' ' THR . 80.0 m -113.62 138.45 50.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.803 0.335 . . . . 70.530000000000001 111.176 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 21.6 t70 -113.61 108.48 17.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.721 -0.672 . . . . 70.239999999999995 109.769 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 4.5 m -113.01 106.64 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 123.737 0.815 . . . . 63.530000000000001 110.629 -178.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 67.49 0.81 2.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.882 -0.599 . . . . 64.030000000000001 111.747 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.88 -14.06 7.57 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.128 -0.558 . . . . 53.140000000000001 111.851 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -88.08 134.82 33.66 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.651 -0.5 . . . . 63.32 109.651 174.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 96.7 m -113.78 115.1 27.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.388 0.613 . . . . 63.119999999999997 110.706 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -113.85 172.3 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.436 -0.802 . . . . 71.120000000000005 109.448 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -116.35 132.6 56.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 73.109999999999999 111.058 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG23 ' HB2' ' A' ' 20' ' ' CYS . 19.4 m -124.91 163.27 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.881 -0.599 . . . . 70.510000000000005 110.535 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.8 t -84.01 -12.77 54.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 52.200000000000003 111.819 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.6 t -174.19 173.11 3.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.643 0.259 . . . . 75.519999999999996 110.889 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 t -62.44 -43.55 98.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.775 -0.648 . . . . 73.430000000000007 110.331 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 19' ' ' GLU . 14.9 pt-20 -60.49 -43.28 97.18 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.486 -0.561 . . . . 75.239999999999995 109.486 178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 12.3 tp10 -62.06 -35.14 77.74 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.329 -0.851 . . . . 75.329999999999998 109.729 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.478 ' HB2' HG23 ' A' ' 14' ' ' VAL . 17.7 t -63.99 -58.05 7.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.045 -0.98 . . . . 54.399999999999999 110.44 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.09 -36.8 75.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.517 -0.765 . . . . 74.299999999999997 110.496 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -59.72 -54.39 46.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.194 -0.457 . . . . 71.040000000000006 110.685 175.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.21 -46.46 90.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.323 -0.399 . . . . 73.239999999999995 110.997 -177.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.1 m -59.13 -44.34 92.04 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.098 -0.501 . . . . 74.340000000000003 110.713 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -75.94 -21.77 56.67 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.741 0.305 . . . . 73.310000000000002 110.9 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -68.2 -45.05 74.46 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 108.758 -0.83 . . . . 71.209999999999994 108.758 176.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.1 mt -70.15 -33.31 71.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.931 -0.577 . . . . 75.140000000000001 109.693 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.19 23.58 16.78 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.654 -0.703 . . . . 43.439999999999998 112.052 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -103.5 121.04 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.16 -0.311 . . . . 61.219999999999999 110.16 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -80.44 -28.4 37.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.959 0.409 . . . . 73.420000000000002 110.327 177.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.5 m-20 -72.92 74.15 1.15 Allowed 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.284 -0.635 . . . . 71.150000000000006 109.284 175.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -122.92 123.14 40.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.301 -0.863 . . . . 73.409999999999997 109.502 -176.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 12.5 tpp180 -113.82 143.07 45.26 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.088 -0.708 . . . . 72.109999999999999 109.088 -177.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.433 HG22 ' SG ' ' A' ' 20' ' ' CYS . 59.4 t -113.56 121.77 66.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.203 0.525 . . . . 74.319999999999993 111.728 -173.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 7.2 m-70 . . . . . 0 C--N 1.33 -0.275 0 N-CA-C 107.656 -1.239 . . . . 74.310000000000002 107.656 171.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--O 1.233 0.204 0 N-CA-C 109.481 -0.563 . . . . 73.230000000000004 109.481 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 12.9 pt-20 -113.84 166.12 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.826 0.346 . . . . 73.430000000000007 110.158 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -143.87 130.79 20.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.82 -0.807 . . . . 74.200000000000003 108.82 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.646 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 32.2 t70 -113.28 106.27 14.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.073 0.463 . . . . 74.0 110.426 -175.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.593 ' HB ' HG23 ' A' ' 29' ' ' VAL . 3.2 m -113.75 108.6 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.059 -0.973 . . . . 74.540000000000006 110.833 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 63.17 24.84 14.58 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.283 0.563 . . . . 73.409999999999997 111.199 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.88 -12.5 65.77 Favored Glycine 0 C--O 1.236 0.235 0 C-N-CA 121.014 -0.612 . . . . 41.350000000000001 111.846 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -84.87 127.95 34.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.917 -0.772 . . . . 62.329999999999998 108.917 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.4 m -113.21 111.31 21.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.158 0.504 . . . . 73.519999999999996 110.29 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -113.75 173.62 6.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.319 -0.855 . . . . 75.25 109.378 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -113.64 133.61 55.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.127 0.489 . . . . 73.430000000000007 110.951 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 20' ' ' CYS . 30.8 m -130.44 166.94 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.517 -0.765 . . . . 75.420000000000002 110.431 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 32.4 t -66.67 -40.57 88.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.638 0.256 . . . . 72.409999999999997 111.108 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -161.7 176.72 10.64 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.711 0.291 . . . . 73.510000000000005 110.487 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 p -56.45 -42.0 77.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 71.510000000000005 110.753 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 35.8 mt-10 -63.28 -37.86 88.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.908 -0.587 . . . . 71.140000000000001 110.407 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' A' ' 15' ' ' SER . 6.1 tp10 -61.67 -40.51 95.22 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.805 -0.634 . . . . 74.239999999999995 109.417 175.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.435 ' HB2' HG23 ' A' ' 14' ' ' VAL . 29.4 t -61.65 -39.25 90.68 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.944 -0.571 . . . . 73.120000000000005 110.448 175.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 42.7 mt-10 -58.53 -48.98 79.05 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 110.006 -0.368 . . . . 61.439999999999998 110.006 176.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 96.2 mtt180 -57.19 -46.11 83.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.623 -0.717 . . . . 74.230000000000004 110.81 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.94 -46.92 87.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.052 -0.522 . . . . 74.439999999999998 109.983 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.6 t -56.47 -46.28 80.48 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.645 -0.707 . . . . 71.040000000000006 110.931 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 36.4 mmt180 -68.25 -47.7 67.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.738 -0.664 . . . . 64.540000000000006 110.564 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.14 -35.45 71.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.568 -0.742 . . . . 72.400000000000006 110.899 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB2' HG21 ' A' ' 29' ' ' VAL . 80.1 mt -90.9 -23.51 20.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 70.430000000000007 110.891 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.2 38.7 46.15 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.115 -0.564 . . . . 73.129999999999995 112.14 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' HB ' ' A' ' 7' ' ' VAL . 61.8 t -83.94 148.02 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.475 0.178 . . . . 74.420000000000002 110.897 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 p -80.35 -54.92 5.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.097 0.475 . . . . 73.310000000000002 110.756 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -98.94 105.59 17.75 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.888 -0.597 . . . . 73.230000000000004 110.817 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.646 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 4.5 p -131.51 118.55 20.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.551 -0.537 . . . . 73.209999999999994 109.551 174.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -123.45 168.58 12.37 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.653 -0.249 . . . . 72.510000000000005 110.359 -175.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -125.17 155.47 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.782 0.325 . . . . 73.219999999999999 111.289 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 38.7 t-80 . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 109.131 -0.692 . . . . 74.310000000000002 109.131 175.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' HIS . 61.0 m . . . . . 0 C--O 1.238 0.48 0 CA-C-O 120.849 0.356 . . . . 70.420000000000002 111.759 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -113.38 148.53 35.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.284 0.564 . . . . 74.340000000000003 112.081 -171.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -127.99 145.65 50.91 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.001 -1.0 . . . . 73.319999999999993 108.983 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 23.8 t70 -136.82 100.2 4.25 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.602 0.361 . . . . 74.540000000000006 110.485 -171.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.474 HG23 ' SG ' ' A' ' 24' ' ' CYS . 40.4 t -113.83 114.36 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.293 -0.412 . . . . 75.420000000000002 110.39 -175.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.478 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 92.3 m-20 60.56 21.62 11.41 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.136 -0.484 . . . . 62.25 111.315 -179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.18 -12.07 70.57 Favored Glycine 0 C--O 1.235 0.196 0 C-N-CA 121.041 -0.599 . . . . 40.240000000000002 112.042 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -81.92 155.64 25.18 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.285 -0.635 . . . . 74.430000000000007 109.285 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -113.28 125.62 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.34 0.59 . . . . 72.120000000000005 111.704 -170.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -124.29 152.28 43.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.181 -0.918 . . . . 75.510000000000005 108.686 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.7 139.07 49.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.723 0.297 . . . . 75.409999999999997 110.266 177.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 20' ' ' CYS . 20.5 m -141.27 166.16 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.774 -0.648 . . . . 75.340000000000003 110.199 -176.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 t -90.49 -20.44 22.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.361 -0.381 . . . . 63.109999999999999 110.078 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.593 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 12.8 m -146.18 147.23 31.26 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 121.908 0.861 . . . . 72.400000000000006 112.108 -177.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.787 ' HA ' HG21 ' A' ' 34' ' ' VAL . 11.9 p -52.52 -53.27 48.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.64 -1.164 . . . . 75.120000000000005 110.175 175.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.46 -33.29 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.57 -0.741 . . . . 75.439999999999998 111.725 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.593 ' HG3' ' HB2' ' A' ' 16' ' ' SER . 83.5 mt-10 -62.38 -52.29 64.2 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.518 -0.549 . . . . 73.510000000000005 109.518 175.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.473 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 4.7 t -53.65 -52.37 60.16 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.689 -0.687 . . . . 62.520000000000003 110.704 175.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 17' ' ' SER . 43.1 mt-10 -60.53 -38.06 83.22 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.916 -0.584 . . . . 71.099999999999994 111.092 -177.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.4 tpp180 -64.97 -45.29 86.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 71.239999999999995 110.14 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.7 tp -58.77 -50.95 72.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.847 -0.615 . . . . 60.549999999999997 109.827 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.474 ' SG ' HG23 ' A' ' 7' ' ' VAL . 62.2 m -60.46 -44.04 96.26 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.807 -0.633 . . . . 72.420000000000002 111.442 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -69.79 -31.17 68.94 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.703 -0.48 . . . . 74.109999999999999 109.703 -178.133 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -65.7 -52.07 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 63.149999999999999 109.924 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.23 -32.18 71.97 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.807 -0.633 . . . . 61.240000000000002 110.078 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.46 36.49 8.71 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.542 -0.754 . . . . 63.109999999999999 111.822 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.04 123.92 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 122.246 0.219 . . . . 72.310000000000002 110.613 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 m -73.65 -38.31 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 65.040000000000006 110.977 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.478 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 78.2 m-20 -77.41 91.47 3.88 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.151 0.501 . . . . 71.430000000000007 110.388 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 32.5 t -152.61 132.57 13.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.54 -0.755 . . . . 60.100000000000001 109.209 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.1 mtp180 -134.21 162.39 32.27 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.665 -0.865 . . . . 74.019999999999996 108.665 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.787 HG21 ' HA ' ' A' ' 17' ' ' SER . 7.5 p -153.95 130.71 2.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.815 0.34 . . . . 74.510000000000005 110.636 -179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 61.5 t60 . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 108.103 -1.073 . . . . 71.319999999999993 108.103 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.318 0.58 . . . . 74.319999999999993 111.532 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.484 ' HG2' HG22 ' A' ' 13' ' ' THR . 39.8 mt-10 -113.74 156.93 22.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.014 -0.994 . . . . 73.510000000000005 108.376 176.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.0 m -139.46 145.87 39.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.67 0.271 . . . . 62.020000000000003 110.788 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 21.1 m-20 -112.84 107.11 15.59 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 123.141 0.577 . . . . 65.530000000000001 109.734 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 96.4 t -112.79 112.47 40.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 123.318 0.647 . . . . 73.239999999999995 109.588 -177.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 55.24 26.0 7.98 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.798 -0.637 . . . . 74.319999999999993 111.27 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.71 -15.98 56.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.23 -0.509 . . . . 74.420000000000002 113.138 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -91.13 149.22 21.89 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.623 -0.51 . . . . 70.120000000000005 109.623 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.1 m -113.45 118.67 35.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.175 0.512 . . . . 74.450000000000003 111.22 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -115.35 165.43 12.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.659 -0.701 . . . . 72.409999999999997 109.833 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.484 HG22 ' HG2' ' A' ' 4' ' ' GLU . 11.1 p -113.5 132.17 55.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.048 0.451 . . . . 74.209999999999994 109.994 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 20' ' ' CYS . 12.6 m -122.06 161.31 22.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.496 -0.775 . . . . 75.230000000000004 110.723 -175.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.2 t -64.87 -47.11 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 43.420000000000002 111.054 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.6 m -153.66 174.26 14.72 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.858 0.361 . . . . 43.049999999999997 111.053 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.5 p -56.37 -57.38 12.53 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.807 -0.633 . . . . 64.310000000000002 110.583 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -49.56 -44.71 46.91 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.531 -0.759 . . . . 70.219999999999999 110.598 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.87 -42.28 89.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.623 -0.717 . . . . 73.510000000000005 110.524 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.521 ' HB2' HG21 ' A' ' 14' ' ' VAL . 34.6 t -57.9 -54.61 44.99 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.097 -0.501 . . . . 73.150000000000006 110.42 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -55.93 -43.11 77.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.468 -0.787 . . . . 74.420000000000002 110.604 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.515 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 46.9 mtp180 -64.55 -42.76 95.51 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 116.262 -0.426 . . . . 73.420000000000002 111.251 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.63 -52.28 66.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.091 0.472 . . . . 73.219999999999999 110.054 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.0 m -66.98 -38.22 85.66 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.775 -0.648 . . . . 75.230000000000004 111.386 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -68.27 -34.21 75.78 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.053 0.454 . . . . 74.129999999999995 109.809 179.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -69.88 -45.22 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.714 -0.676 . . . . 54.219999999999999 109.998 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.54 -21.3 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.599 . . . . 72.109999999999999 110.131 176.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.3 23.45 65.59 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.883 -0.599 . . . . 63.240000000000002 111.963 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.0 t -99.14 116.44 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 71.430000000000007 110.304 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.6 m -75.04 -31.38 61.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.758 -0.655 . . . . 73.409999999999997 110.555 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.484 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 79.4 m-20 -73.55 85.73 1.57 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.404 -0.591 . . . . 74.450000000000003 109.404 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 23.8 t -149.38 111.83 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.895 -0.593 . . . . 75.519999999999996 109.929 -175.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 29.7 mmm180 -113.67 165.05 12.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.44 -0.578 . . . . 65.049999999999997 109.44 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.417 HG22 ' SG ' ' A' ' 20' ' ' CYS . 53.6 t -126.63 146.95 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.647 0.26 . . . . 74.530000000000001 110.817 -176.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 . . . . . 0 C--N 1.33 -0.24 0 C-N-CA 122.881 0.472 . . . . 72.5 109.927 176.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 CA--C 1.529 0.141 0 N-CA-C 108.399 -0.963 . . . . 62.109999999999999 108.399 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -113.26 171.51 7.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.136 0.494 . . . . 73.120000000000005 110.488 -175.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.9 m -145.45 171.38 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.886 -0.597 . . . . 54.200000000000003 110.62 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -134.31 145.67 49.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.577 -0.738 . . . . 72.430000000000007 109.514 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.751 HG13 HG13 ' A' ' 29' ' ' VAL . 78.1 t -141.85 99.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.605 -0.887 . . . . 65.109999999999999 108.605 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 65.15 -1.87 0.83 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.125 0.417 . . . . 72.400000000000006 112.125 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.48 -17.11 4.78 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.001 -0.618 . . . . 60.210000000000001 113.117 -176.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 14.6 pt-20 -92.98 157.7 16.18 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 117.249 0.524 . . . . 72.129999999999995 110.074 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -113.54 144.45 42.84 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.871 0.367 . . . . 55.299999999999997 111.651 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -137.82 167.45 21.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.921 -0.582 . . . . 65.239999999999995 109.681 175.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 p -114.39 134.24 55.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.578 -0.283 . . . . 54.530000000000001 110.658 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -133.08 173.27 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 71.519999999999996 110.601 -176.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.611 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 29.8 t -86.95 -37.42 17.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 74.140000000000001 110.223 176.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 p -157.51 174.68 15.01 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.271 -0.422 . . . . 75.530000000000001 111.16 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -64.3 -29.15 70.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.075 -0.713 . . . . 72.140000000000001 109.075 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.02 -57.28 13.52 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.348 -0.842 . . . . 75.200000000000003 109.855 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.611 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 29.0 mm-40 -58.95 -37.49 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.23 -0.896 . . . . 63.119999999999997 110.369 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.12 -55.69 30.76 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.547 -0.752 . . . . 32.240000000000002 110.372 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 57.1 mm-40 -57.08 -51.09 70.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.796 -0.638 . . . . 73.409999999999997 110.21 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -50.54 -54.16 24.67 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.849 -0.614 . . . . 72.519999999999996 110.914 -177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.9 tp -58.99 -50.1 75.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.859 -0.61 . . . . 62.439999999999998 110.591 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.593 ' SG ' ' HB ' ' A' ' 29' ' ' VAL . 53.9 t -57.85 -49.54 76.32 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.833 -0.622 . . . . 51.420000000000002 111.438 -176.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 14.6 mmt180 -69.09 -35.27 76.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 74.540000000000006 110.431 -176.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -62.97 -44.5 95.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.837 0.351 . . . . 74.120000000000005 110.208 175.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 79.9 mt -70.69 -25.17 62.85 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.064 -0.517 . . . . 73.150000000000006 110.379 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.36 34.57 19.79 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.694 -0.685 . . . . 63.329999999999998 112.034 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.751 HG13 HG13 ' A' ' 7' ' ' VAL . 62.1 t -82.53 139.18 18.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.595 0.236 . . . . 73.230000000000004 110.559 -179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -81.07 -54.89 5.15 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.335 -0.393 . . . . 63.329999999999998 111.131 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -113.02 98.68 7.31 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.325 0.583 . . . . 75.109999999999999 111.199 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.3 p -135.89 137.8 41.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.459 -0.941 . . . . 71.400000000000006 108.459 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.832 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -127.78 177.66 6.67 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.599 0.238 . . . . 62.450000000000003 111.0 -176.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.2 p -125.88 139.95 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.956 0.408 . . . . 74.219999999999999 111.064 -176.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 108.298 -1.001 . . . . 65.420000000000002 108.298 173.562 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' HB3' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.112 -0.329 . . . . 73.409999999999997 110.112 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.478 ' HD2' ' HB3' ' A' ' 1' ' ' ALA . 34.4 Cg_endo -63.49 176.57 2.1 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.282 1.988 . . . . 62.409999999999997 111.636 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 17.5 t -93.28 149.32 21.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.818 -0.438 . . . . 73.530000000000001 109.818 -177.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -114.04 144.62 42.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.971 0.415 . . . . 74.239999999999995 110.373 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.6 t -130.24 129.02 42.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.28 -0.637 . . . . 72.109999999999999 109.28 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.508 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 29.1 t70 -113.48 103.76 11.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.176 0.512 . . . . 72.019999999999996 110.213 -175.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.612 HG21 ' SG ' ' A' ' 24' ' ' CYS . 9.6 t -113.18 124.2 69.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.88 -0.6 . . . . 53.219999999999999 109.762 -174.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t30 68.99 2.17 3.47 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.123 -0.49 . . . . 64.219999999999999 111.301 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.85 -10.4 32.16 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 111.86 -0.496 . . . . 62.439999999999998 111.86 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -95.13 149.9 20.79 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.788 -0.449 . . . . 72.420000000000002 109.788 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.3 m -113.21 128.04 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.343 0.592 . . . . 72.340000000000003 110.997 -172.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -125.59 168.2 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.154 -0.93 . . . . 72.310000000000002 109.287 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.3 p -113.72 139.0 49.45 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.251 -0.278 . . . . 74.109999999999999 110.251 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 20' ' ' CYS . 28.6 m -137.95 154.58 28.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.498 . . . . 62.299999999999997 110.082 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -66.87 -39.8 87.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.283 -0.417 . . . . 72.239999999999995 110.902 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.679 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 37.4 m -140.02 157.11 46.17 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.015 0.436 . . . . 75.25 111.471 -175.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 15.7 m -61.28 -34.79 75.77 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.974 -0.557 . . . . 71.150000000000006 110.442 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 2.3 pm0 -68.78 -31.77 71.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.687 -0.688 . . . . 62.219999999999999 110.162 177.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.679 ' HG2' ' HB2' ' A' ' 16' ' ' SER . 20.1 mm-40 -67.72 -38.75 84.02 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.504 -0.554 . . . . 70.519999999999996 109.504 175.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.498 ' HB2' HG21 ' A' ' 14' ' ' VAL . 2.9 t -55.46 -56.96 14.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.919 -0.582 . . . . 74.409999999999997 110.041 171.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -48.39 -53.66 16.87 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.692 -0.686 . . . . 73.209999999999994 110.932 178.316 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -59.7 -41.81 91.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.077 -0.511 . . . . 74.409999999999997 111.188 -178.434 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.1 tp -58.15 -48.39 80.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.158 0.504 . . . . 71.519999999999996 110.241 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.612 ' SG ' HG21 ' A' ' 7' ' ' VAL . 60.6 m -61.59 -36.4 80.58 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.571 -0.741 . . . . 72.120000000000005 110.867 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 15.3 mmt180 -67.1 -37.82 84.58 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.116 -0.493 . . . . 71.420000000000002 110.511 176.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.718 ' HE3' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.93 -39.31 87.31 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 116.141 -0.481 . . . . 75.530000000000001 110.546 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.0 -25.94 59.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.773 -0.648 . . . . 62.409999999999997 110.062 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.28 41.0 27.28 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.764 -0.653 . . . . 61.119999999999997 111.754 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.43 128.96 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 110.14 -0.319 . . . . 74.329999999999998 110.14 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.7 p -77.11 -33.65 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 71.209999999999994 110.844 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -66.65 97.08 0.42 Allowed 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.235 -0.654 . . . . 75.530000000000001 109.235 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.2 t -155.12 128.08 8.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.807 -0.633 . . . . 73.450000000000003 109.625 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 39.5 mtp180 -128.9 164.29 23.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.033 -0.728 . . . . 72.120000000000005 109.033 -177.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.15 142.11 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.177 0.513 . . . . 51.539999999999999 111.702 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -158.94 136.22 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.338 -0.986 . . . . 63.32 108.338 174.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.518 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 30.3 m -113.33 118.27 34.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.156 -0.313 . . . . 74.329999999999998 110.156 -173.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.878 -0.957 . . . . 55.210000000000001 112.797 -174.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.753 -0.462 . . . . 71.140000000000001 109.753 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.02 163.16 36.87 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.356 2.037 . . . . 71.319999999999993 111.467 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -132.21 174.65 10.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.19 -0.459 . . . . 65.319999999999993 109.931 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 14.4 pt-20 -113.55 160.26 18.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.675 -0.491 . . . . 75.120000000000005 109.675 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -137.76 135.03 35.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.296 -0.411 . . . . 63.43 109.991 -174.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.58 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 3.7 m-20 -113.87 132.73 55.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.219 -0.659 . . . . 65.239999999999995 109.219 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.659 HG21 ' SG ' ' A' ' 24' ' ' CYS . 20.6 t -134.18 104.48 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 123.581 0.753 . . . . 75.420000000000002 109.356 -173.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 68.93 -68.77 0.17 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.566 0.746 . . . . 72.329999999999998 109.394 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.67 12.59 0.22 Allowed Glycine 0 CA--C 1.519 0.288 0 CA-C-N 115.234 -0.893 . . . . 71.030000000000001 112.254 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -109.85 144.24 38.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.333 -0.617 . . . . 62.340000000000003 109.333 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.2 m -113.9 133.59 55.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 64.319999999999993 111.174 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -136.85 175.7 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.637 -0.71 . . . . 74.310000000000002 109.909 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 p -113.81 140.58 48.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.257 -0.429 . . . . 65.010000000000005 110.251 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 20' ' ' CYS . 31.5 m -139.11 167.17 20.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.097 -0.501 . . . . 61.439999999999998 109.949 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.436 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 15.2 m -64.51 -45.78 85.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.767 0.317 . . . . 73.310000000000002 110.412 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -165.7 -173.78 2.85 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.649 0.737 . . . . 73.219999999999999 111.344 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.673 ' HA ' HG23 ' A' ' 34' ' ' VAL . 24.4 t -52.57 -49.37 65.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.593 -1.185 . . . . 73.430000000000007 111.176 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -57.33 -40.05 77.16 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.84 0.352 . . . . 73.420000000000002 110.756 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.436 ' HG2' ' HB2' ' A' ' 15' ' ' SER . 5.9 mp0 -64.67 -48.64 74.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.142 -0.481 . . . . 75.200000000000003 110.418 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.524 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 43.9 t -55.62 -52.03 65.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.015 0.436 . . . . 73.329999999999998 110.437 178.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -52.38 -52.05 55.69 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.707 -0.678 . . . . 75.25 110.71 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.26 -44.79 88.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.967 -0.56 . . . . 74.140000000000001 110.179 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.37 -57.29 13.41 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.36 -0.382 . . . . 74.030000000000001 110.766 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.659 ' SG ' HG21 ' A' ' 7' ' ' VAL . 68.8 m -59.42 -43.17 93.11 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.105 -0.498 . . . . 72.129999999999995 111.142 -177.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 25' ' ' ARG . 51.1 mtt180 -71.64 -26.93 62.75 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.244 -0.435 . . . . 71.200000000000003 110.992 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.53 -39.62 73.95 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.514 -0.551 . . . . 73.209999999999994 109.514 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.4 -25.23 61.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.542 -0.754 . . . . 74.340000000000003 109.987 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.16 13.82 61.41 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.75 -0.659 . . . . 63.210000000000001 111.885 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.12 118.82 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.948 -0.39 . . . . 61.200000000000003 109.948 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -78.38 -35.56 47.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 45.020000000000003 110.191 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -69.03 98.96 1.02 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.32 -0.622 . . . . 51.409999999999997 109.32 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 38.2 t -160.55 139.82 10.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.997 -0.372 . . . . 73.209999999999994 109.997 -175.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -143.76 137.27 27.96 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.199 0.199 . . . . 75.420000000000002 110.654 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.673 HG23 ' HA ' ' A' ' 17' ' ' SER . 4.4 p -113.58 118.62 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.21 0.528 . . . . 73.129999999999995 110.321 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 53.4 t-80 -113.92 143.23 45.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 71.299999999999997 109.786 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 t -140.15 107.09 5.41 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.515 -0.55 . . . . 75.439999999999998 109.515 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.945 -0.92 . . . . 61.399999999999999 112.183 -177.059 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.007 -0.368 . . . . 63.450000000000003 110.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -79.39 146.67 19.69 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.312 2.008 . . . . 74.450000000000003 111.975 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.8 m -131.76 168.43 17.8 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.52 -0.764 . . . . 71.5 109.903 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' HB2' ' HB2' ' A' ' 35' ' ' HIS . 4.9 mp0 -112.77 129.21 56.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.382 -0.599 . . . . 75.239999999999995 109.382 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.2 t -117.52 130.53 56.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.584 -0.735 . . . . 62.329999999999998 109.096 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.672 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 1.7 m-20 -112.96 111.25 21.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.543 -0.54 . . . . 71.25 109.543 -176.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.438 ' C ' ' H ' ' A' ' 9' ' ' GLY . 40.0 t -113.33 110.15 31.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 123.719 0.637 . . . . 73.430000000000007 109.824 -174.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t30 69.83 -22.14 0.16 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.504 0.722 . . . . 74.010000000000005 112.365 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . 151.43 -17.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.282 -0.727 . . . . 44.149999999999999 111.282 -176.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.58 148.27 24.17 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.943 -0.392 . . . . 74.450000000000003 109.943 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.5 m -113.65 119.1 36.29 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.095 0.474 . . . . 74.0 110.792 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.55 168.48 9.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.616 -0.72 . . . . 71.129999999999995 110.091 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 p -113.93 132.03 56.09 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.542 -0.54 . . . . 75.340000000000003 109.542 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -129.41 166.39 27.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.991 -0.55 . . . . 62.329999999999998 110.384 -175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.649 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 15.3 t -79.1 -28.07 42.99 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.375 -0.375 . . . . 70.0 111.231 -176.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.4 m -163.89 171.67 15.05 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.695 0.284 . . . . 73.219999999999999 110.831 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 p -61.25 -47.88 83.99 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.791 0.329 . . . . 55.420000000000002 110.326 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 1.7 pm0 -55.46 -32.85 63.12 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.931 -0.577 . . . . 71.120000000000005 110.789 174.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.649 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 11.7 mm-40 -71.3 -35.3 71.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.52 -0.309 . . . . 73.200000000000003 110.386 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.448 ' SG ' HG12 ' A' ' 34' ' ' VAL . 17.8 t -59.81 -58.55 8.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.41 -0.359 . . . . 71.319999999999993 110.666 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -59.55 -40.3 86.79 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.319 0.581 . . . . 74.200000000000003 110.172 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 68.9 ttt180 -54.37 -48.01 72.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.962 -1.017 . . . . 73.439999999999998 110.457 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.55 -45.18 92.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.734 -0.666 . . . . 73.430000000000007 109.439 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.5 m -59.66 -36.48 76.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.783 -0.644 . . . . 64.209999999999994 110.975 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.431 HH11 ' HA ' ' A' ' 25' ' ' ARG . 11.2 mmm180 -72.66 -30.95 64.71 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.582 -0.281 . . . . 74.310000000000002 110.503 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -69.27 -43.82 73.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 72.400000000000006 110.184 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.8 mt -75.38 -34.22 61.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.316 -0.402 . . . . 74.129999999999995 110.936 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.21 42.57 4.9 Favored Glycine 0 CA--C 1.517 0.218 0 CA-C-N 116.104 -0.498 . . . . 52.210000000000001 112.137 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -124.06 143.02 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 110.029 -0.36 . . . . 64.219999999999999 110.029 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.6 m -96.22 -31.73 12.8 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.967 0.413 . . . . 65.540000000000006 111.247 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -77.62 104.56 8.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 63.109999999999999 110.881 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.672 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 64.4 m -147.49 159.24 43.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 61.219999999999999 110.273 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -144.76 148.54 34.22 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.31 -0.626 . . . . 64.230000000000004 109.31 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.448 HG12 ' SG ' ' A' ' 20' ' ' CYS . 23.7 m -113.49 148.14 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 73.340000000000003 111.154 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 33.2 m-70 -139.94 127.54 21.65 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.864 -0.791 . . . . 74.319999999999993 108.864 176.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 70.7 m -135.62 99.42 4.19 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.698 -0.482 . . . . 44.32 109.698 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.722 -1.043 . . . . 34.420000000000002 111.342 -175.033 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.185 -0.302 . . . . 65.519999999999996 110.185 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -80.27 49.1 3.09 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.794 2.33 . . . . 71.319999999999993 112.3 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.82 150.95 40.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.168 -0.469 . . . . 72.439999999999998 109.832 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -113.81 136.51 52.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.516 0.674 . . . . 73.019999999999996 112.394 -168.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.7 t -114.01 139.16 49.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.865 -1.061 . . . . 53.5 108.85 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.508 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 11.9 t70 -114.9 143.21 45.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.586 -0.524 . . . . 74.120000000000005 109.586 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -135.74 99.75 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.362 -0.607 . . . . 72.150000000000006 109.362 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 62.99 3.76 1.33 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 122.889 0.476 . . . . 73.040000000000006 111.578 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.11 -28.47 3.49 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.167 -0.539 . . . . 33.219999999999999 112.46 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -75.05 143.96 43.24 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.807 -0.442 . . . . 72.420000000000002 109.807 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.2 m -113.53 133.26 55.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 73.219999999999999 110.991 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -129.68 173.82 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.402 -0.817 . . . . 75.439999999999998 109.004 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -113.34 135.05 54.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.043 0.449 . . . . 73.200000000000003 110.569 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 22.7 m -140.97 153.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.562 -0.745 . . . . 72.120000000000005 109.552 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.0 t -63.74 -30.46 71.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.755 -0.202 . . . . 73.450000000000003 110.879 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -169.38 176.64 5.03 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.361 0.601 . . . . 74.040000000000006 111.15 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -62.08 -33.58 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.433 -0.803 . . . . 64.439999999999998 111.243 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.41 -45.24 88.8 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.468 -0.567 . . . . 52.200000000000003 109.468 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.541 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . 12.8 tp10 -65.23 -40.0 93.49 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.115 -0.948 . . . . 63.439999999999998 109.563 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.611 ' SG ' HG13 ' A' ' 34' ' ' VAL . 41.3 t -58.17 -54.07 51.13 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.948 -0.569 . . . . 73.120000000000005 110.945 176.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.648 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 32.6 mt-10 -61.36 -33.9 74.4 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.486 -0.324 . . . . 74.120000000000005 111.034 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 65.3 ttt180 -58.98 -46.41 88.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.73 -0.668 . . . . 74.299999999999997 109.638 175.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 tp -62.2 -46.14 90.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.703 -0.68 . . . . 74.140000000000001 110.629 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -53.06 -56.03 19.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.121 0.486 . . . . 71.010000000000005 110.968 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.648 ' NH1' ' HB3' ' A' ' 21' ' ' GLU . 80.7 mtt85 -68.29 -32.27 72.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.539 -0.755 . . . . 73.099999999999994 111.049 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.31 -45.26 92.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 72.430000000000007 110.389 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.46 -26.93 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 72.219999999999999 110.345 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.37 14.04 54.54 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.733 -0.667 . . . . 64.530000000000001 112.078 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.05 132.89 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.308 . . . . 74.430000000000007 110.474 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.5 p -94.34 -39.23 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 74.430000000000007 110.287 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -72.81 87.12 1.27 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.916 -0.584 . . . . 72.430000000000007 110.776 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 29.4 p -152.11 147.3 26.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.227 -0.897 . . . . 64.439999999999998 108.972 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.508 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 50.7 mtp180 -121.7 147.84 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 63.329999999999998 110.918 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.611 HG13 ' SG ' ' A' ' 20' ' ' CYS . 35.7 m -113.83 134.69 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 74.230000000000004 110.83 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -150.06 114.95 5.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 73.219999999999999 109.541 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.7 t -135.62 99.75 4.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.573 -0.74 . . . . 73.109999999999999 110.277 -172.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.623 -1.098 . . . . 75.120000000000005 111.397 -178.733 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.949 -0.389 . . . . 62.229999999999997 109.949 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.34 154.54 65.37 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.22 1.946 . . . . 72.209999999999994 111.607 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' ' 16' ' ' SER . 61.2 m -112.02 162.55 15.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.45 0.643 . . . . 72.430000000000007 111.352 -178.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -113.8 142.89 45.51 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.661 -1.237 . . . . 75.340000000000003 107.661 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.4 m -138.52 146.11 41.55 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.987 0.422 . . . . 74.109999999999999 111.242 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 17.1 t70 -113.45 139.02 49.27 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.121 -1.066 . . . . 74.430000000000007 108.121 174.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.48 ' C ' ' H ' ' A' ' 9' ' ' GLY . 61.0 t -140.29 104.3 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.05 -0.722 . . . . 74.129999999999995 109.05 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 69.56 -27.62 0.16 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.574 0.546 . . . . 73.319999999999993 112.417 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . 155.57 -15.2 0.46 Allowed Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.419 -0.672 . . . . 73.310000000000002 111.419 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -91.5 147.42 23.03 Favored 'General case' 0 CA--C 1.528 0.135 0 N-CA-C 109.525 -0.546 . . . . 72.230000000000004 109.525 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.7 m -113.74 137.25 51.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 70.349999999999994 110.498 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -133.24 162.07 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 75.5 109.403 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.4 p -113.85 131.2 56.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.652 -0.499 . . . . 75.329999999999998 109.652 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -131.39 179.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 74.5 110.301 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t -64.03 -76.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 65.430000000000007 110.454 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.406 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 6.8 m -141.89 -174.5 4.1 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.132 -0.486 . . . . 71.109999999999999 110.288 -176.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 m -51.32 -37.33 47.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.344 -0.389 . . . . 73.120000000000005 110.955 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -52.79 -62.69 1.49 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.577 -0.738 . . . . 74.519999999999996 109.942 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.26 -33.95 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.977 -1.011 . . . . 75.310000000000002 110.409 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.635 ' SG ' HG21 ' A' ' 34' ' ' VAL . 6.8 t -61.94 -60.4 3.68 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.653 -0.703 . . . . 51.009999999999998 110.784 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.0 -39.76 86.88 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.33 0.586 . . . . 64.219999999999999 110.388 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 16.0 mmt180 -55.64 -42.98 75.76 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.211 -0.904 . . . . 75.310000000000002 110.872 174.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD21 HG23 ' A' ' 7' ' ' VAL . 7.3 tt -63.62 -44.03 95.13 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.537 -0.542 . . . . 62.130000000000003 109.537 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.2 m -54.18 -53.21 56.48 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.358 0.599 . . . . 73.329999999999998 110.16 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -73.64 -17.57 61.14 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.31 -0.859 . . . . 74.549999999999997 111.098 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -73.74 -45.87 49.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.198 -0.455 . . . . 71.329999999999998 109.832 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.7 mt -78.7 -21.05 48.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.959 -0.564 . . . . 74.420000000000002 110.116 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.91 11.53 61.55 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.69 -0.686 . . . . 75.430000000000007 111.992 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 t -104.94 113.43 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.96 -0.385 . . . . 75.239999999999995 109.96 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.0 m -76.6 -23.56 53.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.222 0.534 . . . . 72.140000000000001 110.36 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -69.2 91.1 0.5 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.753 -0.658 . . . . 74.450000000000003 109.941 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.9 p -155.07 160.31 40.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.284 -0.417 . . . . 74.510000000000005 110.64 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.47 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 23.9 mmt180 -132.15 151.23 51.9 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.89 0.476 . . . . 72.010000000000005 110.318 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.635 HG21 ' SG ' ' A' ' 20' ' ' CYS . 45.4 t -113.74 130.44 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 64.129999999999995 110.008 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -136.68 100.05 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.172 -0.677 . . . . 74.319999999999993 109.172 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.4 m -113.24 135.23 54.06 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.194 -0.299 . . . . 74.0 110.194 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.981 -0.899 . . . . 61.340000000000003 111.013 -177.362 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.721 0.296 . . . . 72.120000000000005 110.625 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -90.89 -174.79 0.72 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.975 2.45 . . . . 55.109999999999999 111.963 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.9 t -138.85 153.96 48.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.926 0.393 . . . . 53.450000000000003 110.176 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -113.71 136.05 53.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.013 -0.54 . . . . 74.420000000000002 110.027 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.57 118.81 26.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.784 -1.191 . . . . 65.140000000000001 107.784 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 7.3 m-20 -112.88 108.99 18.15 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.253 0.549 . . . . 71.209999999999994 110.39 -170.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.6 t -115.07 123.06 70.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.348 -0.842 . . . . 74.109999999999999 110.191 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 t30 64.46 -0.29 0.95 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.062 0.545 . . . . 53.140000000000001 111.877 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.91 -24.37 7.93 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.634 -0.587 . . . . 64.319999999999993 111.634 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -83.53 156.65 22.7 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.982 -0.377 . . . . 72.409999999999997 109.982 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.5 m -113.59 124.4 52.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.256 0.551 . . . . 60.450000000000003 111.374 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -121.88 144.18 49.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.401 -1.333 . . . . 71.310000000000002 107.401 172.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -113.49 137.94 50.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.394 0.616 . . . . 52.229999999999997 111.806 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -133.12 179.79 4.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 114.886 -1.052 . . . . 71.030000000000001 109.288 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 t -92.69 -50.73 5.44 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 121.1 -0.24 . . . . 72.349999999999994 110.813 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.441 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 8.1 m -111.02 146.67 36.29 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.021 0.438 . . . . 73.120000000000005 112.003 -174.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.493 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 44.3 t -56.98 -35.82 69.61 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.79 -0.641 . . . . 74.340000000000003 109.427 174.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.33 -48.85 73.56 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.366 -0.834 . . . . 65.430000000000007 108.951 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' HG3' ' HB2' ' A' ' 16' ' ' SER . 50.2 mt-10 -66.19 -36.96 84.46 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.384 -0.825 . . . . 64.420000000000002 111.787 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.9 t -59.67 -63.48 1.28 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.796 0.332 . . . . 73.519999999999996 110.698 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 6.5 mm-40 -53.27 -45.42 68.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.106 -0.497 . . . . 54.25 110.443 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -54.47 -48.57 71.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.369 -0.832 . . . . 70.319999999999993 110.688 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 63.6 tp -59.98 -55.44 34.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 72.129999999999995 110.275 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.3 m -59.9 -37.25 78.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.029 -0.532 . . . . 73.239999999999995 111.679 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 25.5 mmt-85 -77.9 -25.14 48.29 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.71 0.291 . . . . 60.520000000000003 110.356 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -78.42 -24.64 46.08 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.494 -0.558 . . . . 75.209999999999994 109.494 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 90.9 mt -79.91 -33.96 39.42 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.075 -0.713 . . . . 62.350000000000001 109.075 171.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.29 25.4 26.36 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.104 -0.953 . . . . 74.209999999999994 112.099 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.79 136.11 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.159 -0.311 . . . . 63.009999999999998 110.159 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.5 m -91.48 -33.82 15.05 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.375 -0.375 . . . . 73.099999999999994 111.838 -175.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -80.33 48.04 0.98 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.299 0.571 . . . . 73.519999999999996 111.53 -175.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 11.6 t -113.8 143.69 44.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 52.420000000000002 109.779 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -131.87 146.53 52.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.715 -0.476 . . . . 75.420000000000002 109.715 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.74 138.62 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 62.520000000000003 111.027 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -144.97 99.82 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 75.299999999999997 109.764 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 17' ' ' SER . 58.6 m -113.06 99.96 8.25 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.276 -0.639 . . . . 73.420000000000002 109.276 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.55 -1.139 . . . . 60.200000000000003 111.339 -175.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.267 -0.271 . . . . 75.109999999999999 110.267 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -82.93 -178.81 4.05 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.58 2.187 . . . . 73.329999999999998 112.042 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.2 m -130.48 179.61 5.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.191 -0.459 . . . . 73.120000000000005 110.427 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.36 159.7 19.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.64 . . . . 53.399999999999999 109.554 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.9 t -142.29 139.3 31.83 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.699 -0.682 . . . . 73.120000000000005 109.211 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.419 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 9.8 t70 -113.65 135.8 53.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.357 -0.979 . . . . 72.329999999999998 108.357 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.44 HG21 ' SG ' ' A' ' 24' ' ' CYS . 44.1 t -139.82 103.07 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.073 -0.714 . . . . 74.540000000000006 109.073 -174.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 61.5 11.83 4.05 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.245 0.545 . . . . 75.299999999999997 111.084 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.07 -29.09 5.66 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.182 -0.533 . . . . 60.240000000000002 112.503 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -81.47 143.96 31.71 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.008 -0.367 . . . . 64.109999999999999 110.008 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.7 m -114.17 117.68 31.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.924 0.392 . . . . 73.349999999999994 111.158 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -113.75 168.13 10.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.511 . . . . 75.409999999999997 109.744 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.0 p -113.48 131.84 55.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.044 0.449 . . . . 73.230000000000004 110.215 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.422 HG23 ' HB2' ' A' ' 20' ' ' CYS . 26.7 m -125.19 163.55 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 74.319999999999993 111.193 -172.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.0 t -62.0 -30.17 70.77 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.924 -0.58 . . . . 74.319999999999993 111.771 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.9 p -167.36 170.04 11.82 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.485 0.66 . . . . 70.430000000000007 111.811 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 m -55.8 -43.52 76.93 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.088 -0.96 . . . . 63.210000000000001 110.424 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.468 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 14.4 pt-20 -66.49 -38.03 86.37 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 109.73 -0.47 . . . . 71.329999999999998 109.73 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.37 -31.42 72.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.083 -0.508 . . . . 65.109999999999999 110.357 -177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.58 ' SG ' HG21 ' A' ' 34' ' ' VAL . 11.8 t -55.6 -67.1 0.31 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.903 0.382 . . . . 73.310000000000002 111.19 174.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -59.77 -39.27 84.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.045 0.45 . . . . 64.019999999999996 110.304 -179.031 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -55.71 -41.87 74.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.321 -0.854 . . . . 74.310000000000002 110.801 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.4 tp -66.09 -47.96 72.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.094 -0.503 . . . . 74.420000000000002 109.835 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 96.5 m -57.14 -38.4 73.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 74.310000000000002 110.627 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -67.44 -33.77 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.058 0.456 . . . . 72.109999999999999 110.138 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -33.22 75.14 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.854 -0.612 . . . . 75.450000000000003 109.678 175.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.06 -27.64 35.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.741 -0.663 . . . . 73.140000000000001 110.804 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.99 15.23 49.53 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 116.143 -0.48 . . . . 63.210000000000001 112.037 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.486 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 57.9 t -110.54 139.23 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.727 0.298 . . . . 75.5 110.297 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 p -108.45 -16.65 14.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.397 -0.365 . . . . 71.319999999999993 111.096 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -77.94 79.93 4.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.405 0.621 . . . . 65.040000000000006 110.106 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 86.0 m -138.76 -179.92 6.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.948 -1.024 . . . . 72.310000000000002 110.211 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 55.2 ttt180 -152.72 151.9 31.06 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.319 -0.623 . . . . 74.329999999999998 109.319 175.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.58 HG21 ' SG ' ' A' ' 20' ' ' CYS . 49.0 t -113.19 140.58 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.992 -0.373 . . . . 73.239999999999995 109.992 -177.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -144.51 110.72 5.5 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.78 0.324 . . . . 62.219999999999999 111.007 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 70.6 m -115.03 103.36 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.929 -0.767 . . . . 75.209999999999994 108.929 172.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.669 -1.073 . . . . 74.310000000000002 112.133 -177.79 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 110.296 -0.261 . . . . 62.439999999999998 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.91 156.12 43.37 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.489 2.126 . . . . 62.030000000000001 111.692 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.2 m -115.94 154.47 29.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.284 0.564 . . . . 62.130000000000003 110.72 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.86 165.46 12.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.725 -0.67 . . . . 73.040000000000006 110.124 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.6 t -141.05 135.52 31.12 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.243 -0.651 . . . . 74.030000000000001 109.243 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -113.7 135.45 53.93 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.117 -0.697 . . . . 72.109999999999999 109.117 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 43.6 t -139.29 104.5 2.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.193 -0.669 . . . . 64.030000000000001 109.193 -173.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.413 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 7.6 t30 69.1 2.81 3.77 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.152 0.501 . . . . 51.420000000000002 110.989 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.15 -15.44 18.37 Favored Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.679 -0.569 . . . . 42.399999999999999 111.679 -175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -80.07 137.65 36.82 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.991 -0.744 . . . . 75.439999999999998 108.991 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.5 m -113.75 116.75 29.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.292 0.567 . . . . 74.239999999999995 111.318 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -113.86 173.38 6.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.214 -0.903 . . . . 75.140000000000001 109.72 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p -113.96 140.25 48.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.796 0.332 . . . . 75.099999999999994 110.557 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.7 m -142.73 155.94 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.155 -0.475 . . . . 63.009999999999998 110.08 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -84.82 -13.22 51.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.747 -0.206 . . . . 71.409999999999997 111.145 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.5 p -156.57 156.68 34.0 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.496 0.665 . . . . 75.409999999999997 111.888 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 p -60.64 -30.6 69.98 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.457 -0.792 . . . . 65.25 109.543 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.89 -45.9 91.02 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.385 -0.825 . . . . 73.329999999999998 109.443 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.1 -39.6 94.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.285 -0.871 . . . . 44.530000000000001 110.868 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.2 t -56.47 -56.42 21.4 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 120.925 0.393 . . . . 74.120000000000005 110.57 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -56.96 -45.47 82.82 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.067 -0.515 . . . . 61.039999999999999 110.339 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -53.16 -46.19 68.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.424 -0.807 . . . . 71.239999999999995 110.608 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.8 tp -64.8 -58.54 5.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.399 -0.364 . . . . 73.120000000000005 110.412 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.0 t -53.8 -52.88 58.87 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.433 0.635 . . . . 60.329999999999998 111.34 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -69.53 -34.32 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.533 -0.758 . . . . 74.540000000000006 111.628 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' HD3' ' C ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -65.85 -48.45 71.55 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.764 -0.458 . . . . 75.439999999999998 109.764 176.549 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.97 -31.41 71.76 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.917 -0.583 . . . . 75.530000000000001 110.221 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.13 34.39 7.62 Favored Glycine 0 CA--C 1.508 -0.389 0 N-CA-C 110.816 -0.913 . . . . 75.209999999999994 110.816 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 30' ' ' THR . 44.4 t -106.72 154.18 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.949 -0.626 . . . . 71.140000000000001 110.021 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 29' ' ' VAL . 13.5 t -118.8 177.81 4.71 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.071 -0.714 . . . . 70.030000000000001 109.071 172.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 t30 64.47 47.59 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.676 0.751 . . . . 55.350000000000001 109.419 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 p -113.86 149.43 35.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.598 -0.728 . . . . 73.140000000000001 110.11 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -143.25 156.37 44.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 62.399999999999999 109.689 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.59 138.55 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.692 0.282 . . . . 62.329999999999998 110.523 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -137.53 119.33 15.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.408 . . . . 65.430000000000007 110.366 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t -141.05 99.6 3.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.501 -0.926 . . . . 74.450000000000003 108.501 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.897 -0.946 . . . . 23.210000000000001 111.113 -171.075 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.356 -0.239 . . . . 71.230000000000004 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -87.03 -162.86 0.15 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.929 2.42 . . . . 72.420000000000002 111.979 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 33.6 t -118.01 164.02 15.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.247 -0.433 . . . . 64.239999999999995 109.847 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 12.2 pt-20 -132.13 163.42 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 74.400000000000006 110.583 -177.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.4 t -150.31 130.95 13.98 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.02 -0.733 . . . . 75.040000000000006 109.02 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.673 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 11.3 t70 -113.03 101.2 9.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.081 -0.711 . . . . 64.310000000000002 109.081 -178.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.567 HG22 ' SG ' ' A' ' 32' ' ' CYS . 7.6 p -113.39 132.21 62.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 114.971 -1.013 . . . . 70.25 109.922 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.7 t30 66.22 4.39 3.13 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.974 -0.557 . . . . 64.010000000000005 111.156 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.45 -11.29 33.26 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.214 -0.517 . . . . 73.439999999999998 112.548 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 6' ' ' ASP . 54.3 mt-10 -101.93 148.58 25.16 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.988 -0.375 . . . . 73.510000000000005 109.988 178.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 30.8 m -113.01 117.26 31.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.367 0.603 . . . . 72.450000000000003 111.174 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -113.81 177.59 4.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.097 -0.956 . . . . 73.349999999999994 109.181 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 41.3 p -113.77 134.13 54.95 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.944 -0.391 . . . . 65.439999999999998 109.944 177.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.74 158.54 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 70.329999999999998 110.884 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.2 p -65.38 -43.86 89.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.833 -0.621 . . . . 74.109999999999999 111.004 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -152.42 169.14 23.3 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.422 0.63 . . . . 73.140000000000001 111.616 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 t -58.83 -40.64 84.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.503 -0.771 . . . . 62.409999999999997 110.12 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.62 -31.14 72.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.776 -0.647 . . . . 73.310000000000002 110.546 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -70.41 -37.79 74.52 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.476 -0.564 . . . . 73.420000000000002 109.476 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -57.39 -60.48 3.58 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.873 -0.603 . . . . 53.340000000000003 110.833 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.3 -40.34 85.85 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.877 0.37 . . . . 73.340000000000003 110.95 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -54.12 -49.95 68.0 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.82 -0.627 . . . . 72.430000000000007 110.401 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.28 -43.54 96.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 75.219999999999999 110.395 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.1 m -56.8 -56.78 17.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 54.340000000000003 110.86 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.85 -31.9 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 73.099999999999994 110.439 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -67.66 -48.22 67.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 75.319999999999993 110.51 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -76.0 -14.31 60.23 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.084 -0.507 . . . . 73.239999999999995 110.844 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 29.17 35.12 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 116.062 -0.517 . . . . 74.219999999999999 112.106 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.39 139.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.751 -0.462 . . . . 64.230000000000004 109.751 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 44.9 p -97.43 -28.39 14.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.751 0.31 . . . . 62.439999999999998 111.577 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -105.7 118.87 37.68 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.06 0.457 . . . . 72.5 111.276 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.673 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 61.5 m -142.06 164.83 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.13 -0.941 . . . . 74.129999999999995 109.131 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.521 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 10.5 ttm180 -131.67 127.48 37.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.733 -0.469 . . . . 72.120000000000005 109.733 175.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.83 133.61 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.957 0.408 . . . . 75.239999999999995 111.365 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.535 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 27.1 t-80 -149.48 124.41 9.96 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.761 -0.654 . . . . 75.299999999999997 109.534 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.1 m -113.62 136.27 53.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.806 -0.442 . . . . 53.299999999999997 109.806 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-O 119.012 -0.882 . . . . 74.140000000000001 112.025 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.355 -0.239 . . . . 64.439999999999998 110.355 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -71.58 -157.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.273 1.982 . . . . 73.099999999999994 111.006 173.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.12 156.06 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.871 -0.418 . . . . 75.530000000000001 109.871 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.462 ' HG2' HG23 ' A' ' 13' ' ' THR . 42.4 mt-10 -113.57 158.15 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.178 -0.465 . . . . 64.540000000000006 109.816 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' SG ' HG22 ' A' ' 14' ' ' VAL . 87.3 m -147.31 165.92 28.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.389 -0.369 . . . . 74.420000000000002 110.852 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.3 t70 -141.47 151.28 43.22 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.455 -0.572 . . . . 72.540000000000006 109.455 177.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.608 HG23 ' SG ' ' A' ' 24' ' ' CYS . 53.9 t -141.03 99.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.998 -0.742 . . . . 74.200000000000003 108.998 -177.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 56.35 10.09 0.61 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.039 0.535 . . . . 74.530000000000001 112.278 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.55 -32.86 2.34 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 120.809 -0.71 . . . . 72.340000000000003 112.906 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -83.8 142.25 30.79 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 110.17 -0.308 . . . . 75.530000000000001 110.17 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.9 m -113.48 133.34 55.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.963 0.411 . . . . 75.230000000000004 111.277 -173.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -128.63 178.92 5.98 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.662 -0.699 . . . . 73.349999999999994 110.048 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.462 HG23 ' HG2' ' A' ' 4' ' ' GLU . 19.5 p -133.48 135.71 44.65 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.215 -0.291 . . . . 73.109999999999999 110.215 174.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.49 HG23 ' HB2' ' A' ' 20' ' ' CYS . 27.0 m -132.6 170.61 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 71.409999999999997 111.134 -176.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.522 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 37.0 t -66.04 -48.41 71.18 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.105 -0.498 . . . . 74.209999999999994 110.695 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.6 p -153.54 172.74 16.7 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.378 -0.374 . . . . 70.150000000000006 110.778 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 p -56.55 -33.54 66.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 65.349999999999994 110.682 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.31 -58.01 10.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.744 -0.662 . . . . 62.539999999999999 110.04 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.522 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 19.8 mm-40 -58.43 -33.08 69.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.274 -0.875 . . . . 64.129999999999995 110.827 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.776 ' SG ' HG23 ' A' ' 34' ' ' VAL . 9.4 t -62.66 -55.71 24.38 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.658 -0.701 . . . . 72.510000000000005 110.225 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 81.6 mm-40 -54.84 -51.4 65.98 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.59 -0.732 . . . . 75.340000000000003 109.789 177.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -50.57 -45.15 57.02 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.32 -0.4 . . . . 75.25 110.954 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.3 tp -61.25 -61.56 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 74.450000000000003 110.736 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.608 ' SG ' HG23 ' A' ' 7' ' ' VAL . 72.6 m -60.72 -43.24 98.1 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 116.477 -0.329 . . . . 70.109999999999999 111.846 -174.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 20.0 mmt180 -66.72 -41.29 88.17 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 110.145 -0.317 . . . . 62.32 110.145 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.3 -41.14 97.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.471 -0.331 . . . . 63.340000000000003 110.413 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 93.8 mt -61.5 -35.09 76.72 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.416 -0.587 . . . . 62.409999999999997 109.416 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.39 23.64 9.43 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.557 -0.747 . . . . 43.130000000000003 112.001 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.74 116.89 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.848 -0.427 . . . . 64.120000000000005 109.848 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.0 m -75.28 -38.33 60.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.955 -0.566 . . . . 60.350000000000001 110.348 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -70.97 84.82 0.69 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.661 0.743 . . . . 73.209999999999994 109.605 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t -136.51 162.28 33.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.507 -1.224 . . . . 43.299999999999997 108.606 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 38.2 ttm180 -143.55 143.11 31.39 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.402 -0.222 . . . . 75.439999999999998 110.402 -175.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.776 HG23 ' SG ' ' A' ' 20' ' ' CYS . 44.7 t -116.61 140.49 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.413 -0.358 . . . . 75.219999999999999 110.486 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -140.9 99.69 3.66 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.697 -0.482 . . . . 74.129999999999995 109.697 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 77.9 m -113.11 100.53 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.283 -0.636 . . . . 71.120000000000005 109.283 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.68 -1.067 . . . . 64.319999999999993 111.026 -175.851 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 110.213 -0.292 . . . . 73.420000000000002 110.213 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -76.77 71.32 6.14 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.61 2.207 . . . . 75.519999999999996 111.294 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -67.04 172.43 4.55 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.06 -0.973 . . . . 42.009999999999998 110.743 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.513 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 41.3 mt-10 -132.98 174.26 10.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.249 -0.887 . . . . 64.329999999999998 109.869 -177.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 t -149.05 133.39 17.48 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.517 -0.92 . . . . 70.25 108.517 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.497 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 7.1 m-20 -113.3 104.35 12.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.169 0.509 . . . . 71.540000000000006 111.014 -172.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.498 HG21 ' SG ' ' A' ' 24' ' ' CYS . 56.5 t -113.13 110.54 32.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.628 -0.715 . . . . 75.549999999999997 109.871 -175.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.8 t30 59.41 21.16 9.5 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.446 0.641 . . . . 75.109999999999999 110.877 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.62 -19.5 47.39 Favored Glycine 0 C--N 1.329 0.139 0 C-N-CA 121.172 -0.537 . . . . 60.299999999999997 112.316 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.93 143.61 41.54 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.425 -0.583 . . . . 74.319999999999993 109.425 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.6 m -113.42 119.39 37.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.138 0.494 . . . . 50.409999999999997 110.774 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -113.7 168.27 9.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.589 -0.732 . . . . 74.430000000000007 109.108 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 1.5 p -113.55 134.99 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 70.439999999999998 110.606 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 20' ' ' CYS . 26.7 m -138.16 168.03 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 72.319999999999993 110.476 -177.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.1 m -63.44 -46.44 86.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.911 -0.586 . . . . 55.140000000000001 110.946 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 p -169.15 -174.55 2.04 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.32 -0.4 . . . . 73.439999999999998 110.45 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 m -50.47 -40.35 50.58 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.029 -0.532 . . . . 75.329999999999998 110.88 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -50.72 -55.37 16.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.319 -0.855 . . . . 65.019999999999996 110.776 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.54 -27.99 58.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.471 -0.786 . . . . 73.230000000000004 111.264 -174.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.504 ' HB2' HG21 ' A' ' 14' ' ' VAL . 35.2 t -60.05 -59.6 5.17 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 109.431 -0.581 . . . . 52.420000000000002 109.431 174.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 45.5 mt-10 -57.92 -43.24 86.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.592 -0.731 . . . . 74.549999999999997 110.309 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 22' ' ' ARG . 45.3 ttp180 -59.2 -41.31 88.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.421 -0.354 . . . . 72.129999999999995 111.137 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 57.2 tp -64.34 -48.49 75.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.015 0.436 . . . . 63.340000000000003 110.114 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.498 ' SG ' HG21 ' A' ' 7' ' ' VAL . 55.7 m -63.97 -39.05 93.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.881 -0.6 . . . . 74.340000000000003 111.048 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 84.9 mtp180 -65.33 -38.83 91.35 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.797 -0.446 . . . . 75.239999999999995 109.797 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -59.87 -46.7 88.47 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.693 -0.685 . . . . 60.130000000000003 109.714 175.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 85.9 mt -68.92 -21.61 64.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.476 -0.784 . . . . 71.420000000000002 110.261 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.42 44.06 22.9 Favored Glycine 0 C--N 1.334 0.448 0 N-CA-C 111.096 -0.801 . . . . 73.409999999999997 111.096 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG11 HG13 ' A' ' 7' ' ' VAL . 13.3 p -129.82 131.71 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.405 -0.398 . . . . 54.329999999999998 110.628 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.6 p -86.9 -29.71 21.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.948 0.404 . . . . 71.239999999999995 110.029 176.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -69.15 78.08 0.35 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.687 0.756 . . . . 75.439999999999998 109.615 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 8.9 t -150.19 148.04 28.45 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.401 -1.272 . . . . 75.109999999999999 108.743 -174.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 30.9 mtp180 -138.76 162.53 34.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.411 -0.959 . . . . 71.209999999999994 108.411 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.1 t -112.77 117.11 54.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.152 -0.684 . . . . 72.409999999999997 109.152 -176.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 3.7 t-160 -113.9 99.22 7.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.865 -0.607 . . . . 74.230000000000004 110.407 -171.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 99.3 m -124.64 99.71 6.3 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.301 -1.0 . . . . 63.229999999999997 108.301 170.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.525 -1.153 . . . . 45.219999999999999 110.989 -173.491 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.586 -0.153 . . . . 63.229999999999997 110.586 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -81.9 -165.18 0.32 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.703 2.269 . . . . 74.030000000000001 110.72 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.672 ' SG ' ' HA ' ' A' ' 16' ' ' SER . 15.0 m -128.53 148.06 50.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.786 0.327 . . . . 72.530000000000001 110.706 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -113.13 135.01 54.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.749 -0.834 . . . . 71.439999999999998 108.749 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 88.5 m -133.91 147.11 51.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.987 0.422 . . . . 61.43 111.425 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.459 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 18.2 t70 -113.85 151.41 32.17 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.935 -0.765 . . . . 62.210000000000001 108.935 173.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 50.2 t -143.13 99.73 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.904 -0.776 . . . . 72.019999999999996 108.904 -176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.461 ' ND2' ' HB3' ' A' ' 31' ' ' ASN . 11.8 m120 57.82 19.62 5.85 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.179 0.437 . . . . 73.450000000000003 112.179 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.56 7.53 34.19 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.69 -0.767 . . . . 61.240000000000002 113.084 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -112.8 140.53 47.51 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.465 -0.568 . . . . 74.120000000000005 109.465 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.0 m -113.42 124.3 52.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.217 0.532 . . . . 72.319999999999993 111.694 -170.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -134.36 162.19 32.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.384 -0.825 . . . . 75.329999999999998 109.422 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.1 p -113.72 140.12 48.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.633 0.254 . . . . 72.430000000000007 110.352 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 20' ' ' CYS . 27.0 m -125.96 160.1 33.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.26 -0.427 . . . . 74.540000000000006 110.219 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 t -69.53 -24.74 63.78 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.608 -0.269 . . . . 73.310000000000002 111.536 -176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.672 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 22.3 t -166.81 169.69 13.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.729 0.299 . . . . 74.120000000000005 110.928 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -63.33 -37.45 87.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.068 -0.515 . . . . 63.43 110.268 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.556 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 16.6 tp10 -58.78 -50.49 73.75 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.369 -0.604 . . . . 72.209999999999994 109.369 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -56.81 -35.63 68.99 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.781 -0.645 . . . . 73.230000000000004 110.947 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.81 ' SG ' HG21 ' A' ' 34' ' ' VAL . 11.7 t -59.05 -49.27 78.52 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 109.717 -0.475 . . . . 64.040000000000006 109.717 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.626 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 57.8 mm-40 -56.48 -50.25 72.31 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-N 115.627 -0.715 . . . . 63.409999999999997 110.254 175.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 29.9 mmt85 -50.85 -56.57 11.57 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.206 -0.452 . . . . 63.119999999999997 110.729 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.55 -50.66 72.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 73.319999999999993 111.289 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.5 -50.41 73.84 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.129 -0.487 . . . . 61.340000000000003 110.941 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.626 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 24.7 mmt180 -71.0 -28.6 64.54 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.429 -0.351 . . . . 70.519999999999996 110.505 -177.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 8.9 tmtt? -68.26 -45.81 72.13 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.312 -0.625 . . . . 52.140000000000001 109.312 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.55 -30.61 68.45 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.921 -0.581 . . . . 75.329999999999998 109.84 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.06 31.48 7.63 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.798 -0.637 . . . . 73.209999999999994 111.954 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -98.76 143.86 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.092 -0.336 . . . . 75.140000000000001 110.092 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.2 m -101.12 -32.88 10.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.09 0.472 . . . . 74.530000000000001 110.528 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.461 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 23.5 t-20 -93.21 83.6 4.66 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.234 0.54 . . . . 43.329999999999998 110.962 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 67.5 m -126.61 135.67 51.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.375 -0.829 . . . . 73.140000000000001 108.787 174.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -113.95 132.4 55.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.872 -0.418 . . . . 72.200000000000003 109.872 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.81 HG21 ' SG ' ' A' ' 20' ' ' CYS . 40.4 t -113.79 133.69 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.989 0.423 . . . . 75.430000000000007 111.581 -175.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -136.35 119.16 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.511 -0.768 . . . . 65.400000000000006 109.024 171.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.9 t -144.41 116.1 8.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.295 -0.261 . . . . 63.439999999999998 110.295 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.549 -1.14 . . . . 74.239999999999995 111.534 -179.319 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 109.975 -0.38 . . . . 51.25 109.975 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.98 154.93 38.32 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.256 1.971 . . . . 74.340000000000003 111.746 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.1 m -128.52 -179.76 5.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.337 -0.616 . . . . 73.140000000000001 109.337 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.57 172.55 6.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.199 0.524 . . . . 72.099999999999994 110.693 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.1 t -144.15 140.61 29.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.333 -0.849 . . . . 71.319999999999993 109.278 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.532 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 9.9 t70 -113.79 133.25 55.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.919 -0.771 . . . . 71.219999999999999 108.919 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.8 t -137.93 102.47 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.195 -0.668 . . . . 74.319999999999993 109.195 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 61.68 15.97 7.38 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.048 0.539 . . . . 72.439999999999998 111.153 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.22 -4.82 31.64 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.013 -0.613 . . . . 65.549999999999997 112.931 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.512 ' O ' ' HA ' ' A' ' 6' ' ' ASP . 12.6 tp10 -93.06 148.31 22.11 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.957 -0.386 . . . . 74.319999999999993 109.957 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.0 m -113.86 117.15 30.61 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.243 0.544 . . . . 73.200000000000003 111.67 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -114.06 175.53 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.992 -0.744 . . . . 72.430000000000007 108.992 172.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 p -113.92 136.84 52.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.745 0.307 . . . . 65.019999999999996 110.682 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG23 ' HB2' ' A' ' 20' ' ' CYS . 23.5 m -137.59 168.6 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 62.210000000000001 111.015 -176.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.433 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 4.6 m -62.23 -39.01 91.38 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.924 -0.58 . . . . 70.340000000000003 110.935 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.2 t -172.68 177.75 2.84 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.77 -0.65 . . . . 74.5 109.473 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -55.41 -39.63 70.46 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.024 0.44 . . . . 75.120000000000005 110.735 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.72 -48.41 75.22 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.663 -0.698 . . . . 65.450000000000003 109.647 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.498 ' CD ' HH21 ' A' ' 22' ' ' ARG . 7.2 tp10 -62.34 -36.85 83.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.19 -0.914 . . . . 74.010000000000005 110.134 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.492 ' HB2' HG23 ' A' ' 14' ' ' VAL . 37.7 t -60.98 -45.86 93.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.975 -0.557 . . . . 64.450000000000003 110.617 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -66.15 -42.89 88.42 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.575 -0.528 . . . . 74.109999999999999 109.575 -177.383 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.498 HH21 ' CD ' ' A' ' 19' ' ' GLU . 20.8 mtm180 -60.89 -44.83 96.56 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 116.261 -0.427 . . . . 70.239999999999995 111.05 177.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.06 -43.91 97.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.024 0.44 . . . . 74.409999999999997 110.144 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.0 t -56.32 -47.67 78.28 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.772 -0.649 . . . . 73.439999999999998 110.079 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.49 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 2.8 mmp_? -67.55 -29.45 68.83 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.635 -0.711 . . . . 75.329999999999998 111.162 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 55.5 mmtt -67.97 -46.88 70.15 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.839 0.352 . . . . 55.409999999999997 110.535 176.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.92 -29.76 70.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.955 -0.566 . . . . 71.340000000000003 109.654 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.69 19.17 30.24 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 115.578 -0.737 . . . . 73.109999999999999 111.623 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.73 154.77 3.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 122.701 0.4 . . . . 64.420000000000002 110.574 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.3 p -111.9 -33.61 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.191 0.519 . . . . 53.350000000000001 109.878 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -74.2 89.65 2.03 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.636 -0.711 . . . . 72.329999999999998 110.004 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 83.0 m -144.78 157.6 44.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.228 -0.442 . . . . 75.329999999999998 109.889 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.532 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 17.7 ttp180 -149.16 156.3 41.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.25 -0.648 . . . . 71.209999999999994 109.25 -175.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.8 m -113.69 149.57 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.984 0.421 . . . . 74.530000000000001 111.726 -173.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -151.79 153.2 33.8 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.238 -0.653 . . . . 73.450000000000003 109.238 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.8 t -158.77 175.25 13.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.686 -0.487 . . . . 65.340000000000003 109.686 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.658 -1.079 . . . . 44.119999999999997 112.067 -178.456 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.515 0.198 . . . . 72.129999999999995 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -91.19 -107.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.981 2.454 . . . . 74.200000000000003 111.107 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t -162.16 158.01 24.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.346 -0.613 . . . . 74.219999999999999 109.346 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -125.84 146.63 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 122.141 0.176 . . . . 71.019999999999996 110.764 -174.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 85.8 m -140.43 144.22 36.01 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.788 0.328 . . . . 62.210000000000001 111.706 -176.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.547 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 16.8 t70 -113.46 109.2 18.29 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.586 -0.734 . . . . 71.329999999999998 109.106 175.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.64 HG11 ' HB3' ' A' ' 32' ' ' CYS . 4.2 m -113.33 101.51 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 123.192 0.597 . . . . 71.319999999999993 110.252 -178.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.427 ' HB2' HG13 ' A' ' 29' ' ' VAL . 66.0 t30 64.14 19.67 11.86 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.549 -0.751 . . . . 71.329999999999998 110.891 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.12 -14.73 36.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.218 -0.515 . . . . 53.109999999999999 112.366 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.622 ' HB2' HG22 ' A' ' 7' ' ' VAL . 46.5 mm-40 -82.95 140.2 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.4 -0.592 . . . . 71.349999999999994 109.4 175.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.9 m -113.77 109.56 18.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.909 0.385 . . . . 65.510000000000005 110.32 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -120.06 167.47 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 73.519999999999996 109.823 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -113.75 132.98 55.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.831 0.348 . . . . 73.349999999999994 110.601 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG23 ' HB2' ' A' ' 20' ' ' CYS . 30.7 m -121.4 171.33 10.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.011 -0.541 . . . . 74.409999999999997 110.951 -176.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 m -86.95 -23.13 25.21 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.146 -0.479 . . . . 72.310000000000002 111.799 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -166.73 171.83 11.12 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.581 0.229 . . . . 71.150000000000006 110.441 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.461 ' HA ' HG21 ' A' ' 34' ' ' VAL . 21.8 p -59.05 -43.97 91.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.540000000000006 109.68 174.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.62 -47.42 79.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.414 -0.812 . . . . 73.319999999999993 110.35 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -62.27 -32.67 73.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.769 -0.65 . . . . 64.409999999999997 110.261 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.555 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 10.7 t -67.39 -46.97 71.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.202 -0.453 . . . . 64.310000000000002 109.966 178.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' O ' ' HD2' ' A' ' 25' ' ' ARG . 18.9 mm-40 -58.04 -42.74 86.01 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.792 -0.64 . . . . 71.510000000000005 109.94 175.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -61.11 -47.76 84.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.234 -0.893 . . . . 72.109999999999999 109.9 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.07 -39.72 94.69 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.607 -0.724 . . . . 74.209999999999994 110.701 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.654 ' SG ' ' NH2' ' A' ' 25' ' ' ARG . 35.1 t -61.44 -47.77 84.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.073 -0.512 . . . . 63.119999999999997 110.166 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.654 ' NH2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.88 -39.54 90.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.69 0.281 . . . . 75.510000000000005 110.599 175.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -56.5 -47.96 78.17 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.049 -0.523 . . . . 72.230000000000004 110.902 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' HB2' HG22 ' A' ' 29' ' ' VAL . 82.8 mt -83.81 -22.12 31.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 73.310000000000002 110.471 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.12 50.24 13.4 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.055 -0.818 . . . . 75.25 111.055 -177.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.502 HG22 ' HB2' ' A' ' 27' ' ' LEU . 61.4 t -88.19 145.21 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 75.030000000000001 110.644 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p -75.5 -63.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.84 -0.618 . . . . 61.229999999999997 110.441 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -103.62 105.96 16.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.413 -0.812 . . . . 73.349999999999994 110.945 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.64 ' HB3' HG11 ' A' ' 7' ' ' VAL . 2.2 p -124.88 120.33 31.36 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.741 -0.466 . . . . 65.519999999999996 109.741 174.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 34' ' ' VAL . 19.5 tpt85 -113.82 130.81 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.37 -0.604 . . . . 62.109999999999999 109.37 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.555 ' HB ' ' SG ' ' A' ' 20' ' ' CYS . 7.3 p -113.67 140.38 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.254 -0.276 . . . . 64.010000000000005 110.254 -177.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -152.96 124.36 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.397 -0.594 . . . . 72.150000000000006 109.397 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 m -114.03 122.56 47.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.735 -0.468 . . . . 64.120000000000005 109.735 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.488 -1.173 . . . . 70.150000000000006 111.841 -179.356 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.385 -0.228 . . . . 72.409999999999997 110.385 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.11 -159.13 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.648 2.232 . . . . 74.450000000000003 111.657 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.464 ' HB2' HG22 ' A' ' 14' ' ' VAL . 73.5 m -129.19 136.29 49.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.959 0.409 . . . . 74.439999999999998 110.258 178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.71 123.4 49.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.766 -0.827 . . . . 74.349999999999994 108.766 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.8 m -119.67 144.21 47.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.446 0.906 . . . . 75.530000000000001 113.446 -166.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.582 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 8.1 t70 -113.63 101.31 9.21 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.698 -1.137 . . . . 63.399999999999999 108.336 172.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.0 t -113.71 110.72 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 122.983 0.513 . . . . 74.219999999999999 110.38 -175.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 t30 63.17 22.2 13.25 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.441 0.638 . . . . 71.549999999999997 110.324 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 -17.11 59.27 Favored Glycine 0 C--N 1.33 0.23 0 CA-C-N 115.949 -0.568 . . . . 75.040000000000006 111.956 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.26 146.22 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.797 -0.445 . . . . 71.099999999999994 109.797 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 m -113.73 113.55 25.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.861 0.363 . . . . 75.0 110.359 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -132.17 161.37 33.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.048 -0.524 . . . . 74.430000000000007 110.34 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 p -113.66 133.06 55.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.302 -0.408 . . . . 51.439999999999998 110.063 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 20' ' ' CYS . 32.4 m -126.08 165.43 24.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.945 -0.571 . . . . 64.040000000000006 110.745 -174.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m -75.81 -38.19 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 75.230000000000004 111.668 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 m -146.72 158.45 43.91 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.886 0.374 . . . . 72.239999999999995 110.958 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.543 ' HB3' ' SG ' ' A' ' 36' ' ' CYS . 11.2 p -56.84 -49.8 74.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.939 -0.573 . . . . 51.310000000000002 110.739 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -57.6 -41.96 82.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.786 -0.643 . . . . 72.450000000000003 110.788 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.59 -36.88 81.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 110.118 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.521 ' HB2' HG21 ' A' ' 14' ' ' VAL . 28.3 t -56.93 -47.38 80.74 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.269 0.557 . . . . 71.420000000000002 109.925 175.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.55 -39.8 95.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.468 -0.787 . . . . 75.510000000000005 110.345 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -62.6 -46.25 89.15 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 116.079 -0.51 . . . . 75.549999999999997 110.743 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.06 -42.01 99.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.039 0.447 . . . . 71.510000000000005 109.914 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.3 t -60.16 -47.54 85.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.762 -0.653 . . . . 64.209999999999994 110.261 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -26.76 62.37 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.27 0.557 . . . . 64.5 110.191 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -66.86 -45.05 79.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.557 -0.747 . . . . 75.439999999999998 109.237 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.18 -24.5 57.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 75.409999999999997 110.337 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.67 42.99 6.63 Favored Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.797 -0.638 . . . . 75.099999999999994 111.971 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -112.22 151.39 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 122.487 0.315 . . . . 54.229999999999997 110.176 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 p -103.55 -33.56 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.215 0.531 . . . . 74.310000000000002 110.531 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -88.69 97.1 10.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 73.439999999999998 110.584 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.582 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 3.1 p -151.19 119.09 6.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.557 -0.747 . . . . 43.340000000000003 109.046 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -113.64 135.21 54.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.554 -0.535 . . . . 73.420000000000002 109.554 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.0 136.31 52.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.039 0.447 . . . . 71.549999999999997 111.476 -174.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -115.98 110.46 18.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.941 -0.763 . . . . 73.310000000000002 108.941 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.543 ' SG ' ' HB3' ' A' ' 17' ' ' SER . 75.2 m -113.81 109.38 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.0 -0.37 . . . . 73.450000000000003 110.0 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.955 -0.914 . . . . 55.149999999999999 111.626 -179.082 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.984 -0.376 . . . . 74.25 109.984 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -67.54 -174.03 0.52 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.821 2.347 . . . . 64.299999999999997 112.684 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.448 ' HB2' HG21 ' A' ' 14' ' ' VAL . 97.5 m -103.9 146.54 28.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.05 -0.523 . . . . 74.540000000000006 110.777 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 35' ' ' HIS . 36.9 mt-10 -115.29 125.35 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.63 -0.507 . . . . 74.200000000000003 109.63 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 11' ' ' THR . 80.0 m -113.62 138.45 50.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.803 0.335 . . . . 70.530000000000001 111.176 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 21.6 t70 -113.61 108.48 17.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.721 -0.672 . . . . 70.239999999999995 109.769 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 4.5 m -113.01 106.64 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 123.737 0.815 . . . . 63.530000000000001 110.629 -178.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 67.49 0.81 2.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.882 -0.599 . . . . 64.030000000000001 111.747 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.88 -14.06 7.57 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.128 -0.558 . . . . 53.140000000000001 111.851 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -88.08 134.82 33.66 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.651 -0.5 . . . . 63.32 109.651 174.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 96.7 m -113.78 115.1 27.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.388 0.613 . . . . 63.119999999999997 110.706 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -113.85 172.3 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.436 -0.802 . . . . 71.120000000000005 109.448 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -116.35 132.6 56.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 73.109999999999999 111.058 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG23 ' HB2' ' A' ' 20' ' ' CYS . 19.4 m -124.91 163.27 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.881 -0.599 . . . . 70.510000000000005 110.535 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.8 t -84.01 -12.77 54.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 52.200000000000003 111.819 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.6 t -174.19 173.11 3.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.643 0.259 . . . . 75.519999999999996 110.889 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 t -62.44 -43.55 98.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.775 -0.648 . . . . 73.430000000000007 110.331 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 19' ' ' GLU . 14.9 pt-20 -60.49 -43.28 97.18 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.486 -0.561 . . . . 75.239999999999995 109.486 178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 12.3 tp10 -62.06 -35.14 77.74 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.329 -0.851 . . . . 75.329999999999998 109.729 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.478 ' HB2' HG23 ' A' ' 14' ' ' VAL . 17.7 t -63.99 -58.05 7.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.045 -0.98 . . . . 54.399999999999999 110.44 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.09 -36.8 75.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.517 -0.765 . . . . 74.299999999999997 110.496 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -59.72 -54.39 46.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.194 -0.457 . . . . 71.040000000000006 110.685 175.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.21 -46.46 90.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.323 -0.399 . . . . 73.239999999999995 110.997 -177.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.1 m -59.13 -44.34 92.04 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.098 -0.501 . . . . 74.340000000000003 110.713 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -75.94 -21.77 56.67 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.741 0.305 . . . . 73.310000000000002 110.9 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -68.2 -45.05 74.46 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 108.758 -0.83 . . . . 71.209999999999994 108.758 176.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.1 mt -70.15 -33.31 71.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.931 -0.577 . . . . 75.140000000000001 109.693 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.19 23.58 16.78 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.654 -0.703 . . . . 43.439999999999998 112.052 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -103.5 121.04 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.16 -0.311 . . . . 61.219999999999999 110.16 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -80.44 -28.4 37.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.959 0.409 . . . . 73.420000000000002 110.327 177.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.5 m-20 -72.92 74.15 1.15 Allowed 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.284 -0.635 . . . . 71.150000000000006 109.284 175.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -122.92 123.14 40.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.301 -0.863 . . . . 73.409999999999997 109.502 -176.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 12.5 tpp180 -113.82 143.07 45.26 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.088 -0.708 . . . . 72.109999999999999 109.088 -177.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.433 HG22 ' SG ' ' A' ' 20' ' ' CYS . 59.4 t -113.56 121.77 66.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.203 0.525 . . . . 74.319999999999993 111.728 -173.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 7.2 m-70 -113.9 144.03 43.72 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.656 -1.239 . . . . 74.310000000000002 107.656 171.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.3 m -146.44 106.55 4.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.001 0.429 . . . . 74.420000000000002 110.66 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.818 -0.99 . . . . 72.150000000000006 111.749 -177.651 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 110.371 -0.233 . . . . 73.019999999999996 110.371 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -90.82 169.68 3.62 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.826 2.35 . . . . 53.32 113.125 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -138.35 -174.64 3.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.547 -0.751 . . . . 73.230000000000004 109.481 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 12.9 pt-20 -113.84 166.12 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.826 0.346 . . . . 73.430000000000007 110.158 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -143.87 130.79 20.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.82 -0.807 . . . . 74.200000000000003 108.82 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.646 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 32.2 t70 -113.28 106.27 14.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.073 0.463 . . . . 74.0 110.426 -175.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.593 ' HB ' HG23 ' A' ' 29' ' ' VAL . 3.2 m -113.75 108.6 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.059 -0.973 . . . . 74.540000000000006 110.833 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 63.17 24.84 14.58 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.283 0.563 . . . . 73.409999999999997 111.199 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.88 -12.5 65.77 Favored Glycine 0 C--O 1.236 0.235 0 C-N-CA 121.014 -0.612 . . . . 41.350000000000001 111.846 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -84.87 127.95 34.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.917 -0.772 . . . . 62.329999999999998 108.917 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.4 m -113.21 111.31 21.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.158 0.504 . . . . 73.519999999999996 110.29 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -113.75 173.62 6.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.319 -0.855 . . . . 75.25 109.378 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -113.64 133.61 55.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.127 0.489 . . . . 73.430000000000007 110.951 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.435 HG23 ' HB2' ' A' ' 20' ' ' CYS . 30.8 m -130.44 166.94 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.517 -0.765 . . . . 75.420000000000002 110.431 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 32.4 t -66.67 -40.57 88.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.638 0.256 . . . . 72.409999999999997 111.108 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -161.7 176.72 10.64 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.711 0.291 . . . . 73.510000000000005 110.487 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 p -56.45 -42.0 77.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 71.510000000000005 110.753 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 35.8 mt-10 -63.28 -37.86 88.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.908 -0.587 . . . . 71.140000000000001 110.407 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' A' ' 15' ' ' SER . 6.1 tp10 -61.67 -40.51 95.22 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.805 -0.634 . . . . 74.239999999999995 109.417 175.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.435 ' HB2' HG23 ' A' ' 14' ' ' VAL . 29.4 t -61.65 -39.25 90.68 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.944 -0.571 . . . . 73.120000000000005 110.448 175.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 42.7 mt-10 -58.53 -48.98 79.05 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 110.006 -0.368 . . . . 61.439999999999998 110.006 176.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 96.2 mtt180 -57.19 -46.11 83.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.623 -0.717 . . . . 74.230000000000004 110.81 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.94 -46.92 87.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.052 -0.522 . . . . 74.439999999999998 109.983 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.6 t -56.47 -46.28 80.48 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.645 -0.707 . . . . 71.040000000000006 110.931 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 36.4 mmt180 -68.25 -47.7 67.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.738 -0.664 . . . . 64.540000000000006 110.564 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.14 -35.45 71.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.568 -0.742 . . . . 72.400000000000006 110.899 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB2' HG21 ' A' ' 29' ' ' VAL . 80.1 mt -90.9 -23.51 20.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 70.430000000000007 110.891 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.2 38.7 46.15 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.115 -0.564 . . . . 73.129999999999995 112.14 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG23 ' HB ' ' A' ' 7' ' ' VAL . 61.8 t -83.94 148.02 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.475 0.178 . . . . 74.420000000000002 110.897 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 p -80.35 -54.92 5.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.097 0.475 . . . . 73.310000000000002 110.756 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -98.94 105.59 17.75 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.888 -0.597 . . . . 73.230000000000004 110.817 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.646 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 4.5 p -131.51 118.55 20.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.551 -0.537 . . . . 73.209999999999994 109.551 174.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -123.45 168.58 12.37 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.653 -0.249 . . . . 72.510000000000005 110.359 -175.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -125.17 155.47 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.782 0.325 . . . . 73.219999999999999 111.289 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 38.7 t-80 -160.69 150.09 17.21 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.131 -0.692 . . . . 74.310000000000002 109.131 175.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.2 m -135.25 114.84 12.68 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 122.323 -0.235 . . . . 75.329999999999998 110.562 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.752 -1.027 . . . . 71.329999999999998 111.813 179.307 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.4 -0.222 . . . . 73.409999999999997 110.4 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -78.82 63.81 8.66 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.938 2.426 . . . . 74.530000000000001 111.091 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' HIS . 61.0 m -64.13 170.97 3.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.873 -1.058 . . . . 70.420000000000002 111.759 -175.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -113.38 148.53 35.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.284 0.564 . . . . 74.340000000000003 112.081 -171.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -127.99 145.65 50.91 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.001 -1.0 . . . . 73.319999999999993 108.983 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 23.8 t70 -136.82 100.2 4.25 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.602 0.361 . . . . 74.540000000000006 110.485 -171.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.474 HG23 ' SG ' ' A' ' 24' ' ' CYS . 40.4 t -113.83 114.36 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.293 -0.412 . . . . 75.420000000000002 110.39 -175.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.478 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 92.3 m-20 60.56 21.62 11.41 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.136 -0.484 . . . . 62.25 111.315 -179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.18 -12.07 70.57 Favored Glycine 0 C--O 1.235 0.196 0 C-N-CA 121.041 -0.599 . . . . 40.240000000000002 112.042 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -81.92 155.64 25.18 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.285 -0.635 . . . . 74.430000000000007 109.285 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -113.28 125.62 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.34 0.59 . . . . 72.120000000000005 111.704 -170.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -124.29 152.28 43.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.181 -0.918 . . . . 75.510000000000005 108.686 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.7 139.07 49.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.723 0.297 . . . . 75.409999999999997 110.266 177.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 20' ' ' CYS . 20.5 m -141.27 166.16 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.774 -0.648 . . . . 75.340000000000003 110.199 -176.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 t -90.49 -20.44 22.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.361 -0.381 . . . . 63.109999999999999 110.078 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.593 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 12.8 m -146.18 147.23 31.26 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 121.908 0.861 . . . . 72.400000000000006 112.108 -177.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.787 ' HA ' HG21 ' A' ' 34' ' ' VAL . 11.9 p -52.52 -53.27 48.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.64 -1.164 . . . . 75.120000000000005 110.175 175.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.46 -33.29 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.57 -0.741 . . . . 75.439999999999998 111.725 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.593 ' HG3' ' HB2' ' A' ' 16' ' ' SER . 83.5 mt-10 -62.38 -52.29 64.2 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.518 -0.549 . . . . 73.510000000000005 109.518 175.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.473 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 4.7 t -53.65 -52.37 60.16 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.689 -0.687 . . . . 62.520000000000003 110.704 175.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 17' ' ' SER . 43.1 mt-10 -60.53 -38.06 83.22 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.916 -0.584 . . . . 71.099999999999994 111.092 -177.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.4 tpp180 -64.97 -45.29 86.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 71.239999999999995 110.14 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.7 tp -58.77 -50.95 72.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.847 -0.615 . . . . 60.549999999999997 109.827 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.474 ' SG ' HG23 ' A' ' 7' ' ' VAL . 62.2 m -60.46 -44.04 96.26 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.807 -0.633 . . . . 72.420000000000002 111.442 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -69.79 -31.17 68.94 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.703 -0.48 . . . . 74.109999999999999 109.703 -178.133 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -65.7 -52.07 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 63.149999999999999 109.924 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.23 -32.18 71.97 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.807 -0.633 . . . . 61.240000000000002 110.078 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.46 36.49 8.71 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.542 -0.754 . . . . 63.109999999999999 111.822 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.04 123.92 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 122.246 0.219 . . . . 72.310000000000002 110.613 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 m -73.65 -38.31 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 65.040000000000006 110.977 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.478 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 78.2 m-20 -77.41 91.47 3.88 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.151 0.501 . . . . 71.430000000000007 110.388 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 32.5 t -152.61 132.57 13.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.54 -0.755 . . . . 60.100000000000001 109.209 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.1 mtp180 -134.21 162.39 32.27 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.665 -0.865 . . . . 74.019999999999996 108.665 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.787 HG21 ' HA ' ' A' ' 17' ' ' SER . 7.5 p -153.95 130.71 2.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.815 0.34 . . . . 74.510000000000005 110.636 -179.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 61.5 t60 -114.0 124.1 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.103 -1.073 . . . . 71.319999999999993 108.103 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.2 t -140.74 99.96 3.74 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.81 -0.441 . . . . 74.430000000000007 109.81 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.81 -0.994 . . . . 73.439999999999998 110.954 -177.417 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.465 -0.198 . . . . 62.020000000000003 110.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.09 -172.15 0.21 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.793 2.329 . . . . 74.299999999999997 112.038 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m -129.75 162.8 27.6 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.318 0.58 . . . . 74.319999999999993 111.532 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.484 ' HG2' HG22 ' A' ' 13' ' ' THR . 39.8 mt-10 -113.74 156.93 22.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.014 -0.994 . . . . 73.510000000000005 108.376 176.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.0 m -139.46 145.87 39.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.67 0.271 . . . . 62.020000000000003 110.788 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.527 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 21.1 m-20 -112.84 107.11 15.59 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 123.141 0.577 . . . . 65.530000000000001 109.734 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 96.4 t -112.79 112.47 40.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 123.318 0.647 . . . . 73.239999999999995 109.588 -177.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 55.24 26.0 7.98 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.798 -0.637 . . . . 74.319999999999993 111.27 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.71 -15.98 56.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.23 -0.509 . . . . 74.420000000000002 113.138 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -91.13 149.22 21.89 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.623 -0.51 . . . . 70.120000000000005 109.623 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.1 m -113.45 118.67 35.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.175 0.512 . . . . 74.450000000000003 111.22 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -115.35 165.43 12.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.659 -0.701 . . . . 72.409999999999997 109.833 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.484 HG22 ' HG2' ' A' ' 4' ' ' GLU . 11.1 p -113.5 132.17 55.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.048 0.451 . . . . 74.209999999999994 109.994 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 20' ' ' CYS . 12.6 m -122.06 161.31 22.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.496 -0.775 . . . . 75.230000000000004 110.723 -175.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.2 t -64.87 -47.11 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 43.420000000000002 111.054 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.6 m -153.66 174.26 14.72 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.858 0.361 . . . . 43.049999999999997 111.053 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.5 p -56.37 -57.38 12.53 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.807 -0.633 . . . . 64.310000000000002 110.583 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -49.56 -44.71 46.91 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.531 -0.759 . . . . 70.219999999999999 110.598 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.87 -42.28 89.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.623 -0.717 . . . . 73.510000000000005 110.524 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.521 ' HB2' HG21 ' A' ' 14' ' ' VAL . 34.6 t -57.9 -54.61 44.99 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.097 -0.501 . . . . 73.150000000000006 110.42 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -55.93 -43.11 77.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.468 -0.787 . . . . 74.420000000000002 110.604 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 46.9 mtp180 -64.55 -42.76 95.51 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 116.262 -0.426 . . . . 73.420000000000002 111.251 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.63 -52.28 66.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.091 0.472 . . . . 73.219999999999999 110.054 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.0 m -66.98 -38.22 85.66 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.775 -0.648 . . . . 75.230000000000004 111.386 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -68.27 -34.21 75.78 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.053 0.454 . . . . 74.129999999999995 109.809 179.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -69.88 -45.22 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.714 -0.676 . . . . 54.219999999999999 109.998 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.54 -21.3 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.599 . . . . 72.109999999999999 110.131 176.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.3 23.45 65.59 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.883 -0.599 . . . . 63.240000000000002 111.963 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.0 t -99.14 116.44 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 71.430000000000007 110.304 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.6 m -75.04 -31.38 61.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.758 -0.655 . . . . 73.409999999999997 110.555 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.484 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 79.4 m-20 -73.55 85.73 1.57 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.404 -0.591 . . . . 74.450000000000003 109.404 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 23.8 t -149.38 111.83 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.895 -0.593 . . . . 75.519999999999996 109.929 -175.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.506 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 29.7 mmm180 -113.67 165.05 12.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.44 -0.578 . . . . 65.049999999999997 109.44 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.417 HG22 ' SG ' ' A' ' 20' ' ' CYS . 53.6 t -126.63 146.95 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.647 0.26 . . . . 74.530000000000001 110.817 -176.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -143.06 111.51 6.25 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 122.881 0.472 . . . . 72.5 109.927 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.1 m -113.6 130.06 56.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.952 -0.388 . . . . 54.350000000000001 109.952 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.554 -1.137 . . . . 72.409999999999997 112.055 -177.595 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 120.435 0.159 . . . . 55.530000000000001 110.584 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HB2' ' H ' ' A' ' 3' ' ' CYS . 2.5 Cg_endo -81.74 -114.57 0.01 OUTLIER 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 123.097 2.531 . . . . 61.219999999999999 110.978 176.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.45 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 3.6 t -177.48 106.16 0.05 Allowed 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.399 -0.963 . . . . 62.109999999999999 108.399 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -113.26 171.51 7.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.136 0.494 . . . . 73.120000000000005 110.488 -175.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.9 m -145.45 171.38 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.886 -0.597 . . . . 54.200000000000003 110.62 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -134.31 145.67 49.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.577 -0.738 . . . . 72.430000000000007 109.514 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.751 HG13 HG13 ' A' ' 29' ' ' VAL . 78.1 t -141.85 99.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.605 -0.887 . . . . 65.109999999999999 108.605 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 65.15 -1.87 0.83 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.125 0.417 . . . . 72.400000000000006 112.125 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.48 -17.11 4.78 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.001 -0.618 . . . . 60.210000000000001 113.117 -176.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 14.6 pt-20 -92.98 157.7 16.18 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 117.249 0.524 . . . . 72.129999999999995 110.074 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -113.54 144.45 42.84 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.871 0.367 . . . . 55.299999999999997 111.651 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -137.82 167.45 21.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.921 -0.582 . . . . 65.239999999999995 109.681 175.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 p -114.39 134.24 55.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.578 -0.283 . . . . 54.530000000000001 110.658 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -133.08 173.27 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 71.519999999999996 110.601 -176.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.611 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 29.8 t -86.95 -37.42 17.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 74.140000000000001 110.223 176.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 p -157.51 174.68 15.01 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.271 -0.422 . . . . 75.530000000000001 111.16 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -64.3 -29.15 70.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.075 -0.713 . . . . 72.140000000000001 109.075 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.02 -57.28 13.52 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.348 -0.842 . . . . 75.200000000000003 109.855 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.611 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 29.0 mm-40 -58.95 -37.49 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.23 -0.896 . . . . 63.119999999999997 110.369 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.12 -55.69 30.76 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.547 -0.752 . . . . 32.240000000000002 110.372 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.591 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 57.1 mm-40 -57.08 -51.09 70.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.796 -0.638 . . . . 73.409999999999997 110.21 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -50.54 -54.16 24.67 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.849 -0.614 . . . . 72.519999999999996 110.914 -177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.9 tp -58.99 -50.1 75.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.859 -0.61 . . . . 62.439999999999998 110.591 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.593 ' SG ' ' HB ' ' A' ' 29' ' ' VAL . 53.9 t -57.85 -49.54 76.32 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.833 -0.622 . . . . 51.420000000000002 111.438 -176.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 14.6 mmt180 -69.09 -35.27 76.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 74.540000000000006 110.431 -176.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -62.97 -44.5 95.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.837 0.351 . . . . 74.120000000000005 110.208 175.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 79.9 mt -70.69 -25.17 62.85 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.064 -0.517 . . . . 73.150000000000006 110.379 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.36 34.57 19.79 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.694 -0.685 . . . . 63.329999999999998 112.034 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.751 HG13 HG13 ' A' ' 7' ' ' VAL . 62.1 t -82.53 139.18 18.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.595 0.236 . . . . 73.230000000000004 110.559 -179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -81.07 -54.89 5.15 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.335 -0.393 . . . . 63.329999999999998 111.131 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -113.02 98.68 7.31 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.325 0.583 . . . . 75.109999999999999 111.199 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.3 p -135.89 137.8 41.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.459 -0.941 . . . . 71.400000000000006 108.459 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.832 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -127.78 177.66 6.67 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.599 0.238 . . . . 62.450000000000003 111.0 -176.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.2 p -125.88 139.95 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.956 0.408 . . . . 74.219999999999999 111.064 -176.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -128.21 99.35 5.42 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.298 -1.001 . . . . 65.420000000000002 108.298 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 t -130.53 105.33 7.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.143 -0.317 . . . . 61.329999999999998 110.143 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 119.043 -0.865 . . . . 73.129999999999995 111.819 -178.739 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 t . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.818 -0.438 . . . . 73.53 109.818 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -114.04 144.62 42.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.971 0.415 . . . . 74.24 110.373 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.6 t -130.24 129.02 42.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.28 -0.637 . . . . 72.11 109.28 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 29.1 t70 -113.48 103.76 11.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.176 0.512 . . . . 72.02 110.213 -175.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.642 HG22 ' SG ' ' A' ' 24' ' ' CYS . 9.6 t -113.18 124.2 69.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.88 -0.6 . . . . 53.22 109.762 -174.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t30 68.99 2.17 3.47 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.123 -0.49 . . . . 64.22 111.301 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.85 -10.4 32.16 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 111.86 -0.496 . . . . 62.44 111.86 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -95.13 149.9 20.79 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.788 -0.449 . . . . 72.42 109.788 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.3 m -113.21 128.04 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.343 0.592 . . . . 72.34 110.997 -172.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -125.59 168.2 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.154 -0.93 . . . . 61.1 109.287 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.3 p -113.72 139.0 49.45 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.251 -0.278 . . . . 64.4 110.251 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 20' ' ' CYS . 28.6 m -137.95 154.58 28.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.498 . . . . 62.3 110.082 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -66.87 -39.8 87.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.283 -0.417 . . . . 72.24 110.902 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.693 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 37.4 m -140.02 157.11 46.17 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.015 0.436 . . . . 75.25 111.471 -175.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 15.7 m -61.28 -34.79 75.77 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.974 -0.557 . . . . 71.15 110.442 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 2.3 pm0 -68.78 -31.77 71.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.687 -0.688 . . . . 52.01 110.162 177.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.693 ' HG2' ' HB2' ' A' ' 16' ' ' SER . 20.1 mm-40 -67.72 -38.75 84.02 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.504 -0.554 . . . . 70.52 109.504 175.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HB2' HG21 ' A' ' 14' ' ' VAL . 2.9 t -55.46 -56.96 14.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.919 -0.582 . . . . 74.41 110.041 171.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -48.39 -53.66 16.87 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.692 -0.686 . . . . 73.21 110.932 178.316 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -59.7 -41.81 91.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.077 -0.511 . . . . 74.41 111.188 -178.434 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.1 tp -58.15 -48.39 80.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.158 0.504 . . . . 71.52 110.241 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.642 ' SG ' HG22 ' A' ' 7' ' ' VAL . 60.6 m -61.59 -36.4 80.58 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.571 -0.741 . . . . 72.12 110.867 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 15.3 mmt180 -67.1 -37.82 84.58 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.511 176.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.718 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.93 -39.31 87.31 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.546 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.0 -25.94 59.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.773 -0.648 . . . . 60.3 110.062 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.28 41.0 27.28 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.764 -0.653 . . . . 61.12 111.754 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.43 128.96 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 110.14 -0.319 . . . . 70.14 110.14 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.7 p -77.11 -33.65 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 71.21 110.844 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -66.65 97.08 0.42 Allowed 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.235 -0.654 . . . . 72.02 109.235 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.2 t -155.12 128.08 8.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.807 -0.633 . . . . 73.45 109.625 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.53 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 39.5 mtp180 -128.9 164.29 23.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.033 -0.728 . . . . 70.14 109.033 -177.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.15 142.11 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.177 0.513 . . . . 51.54 111.702 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 . . . . . 0 C--N 1.329 -0.285 0 N-CA-C 108.338 -0.986 . . . . 63.32 108.338 174.313 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.931 -0.396 . . . . 65.32 109.931 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 14.4 pt-20 -113.55 160.26 18.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.675 -0.491 . . . . 75.12 109.675 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -137.76 135.03 35.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.296 -0.411 . . . . 63.43 109.991 -174.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.587 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 3.7 m-20 -113.87 132.73 55.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.219 -0.659 . . . . 65.24 109.219 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.672 HG22 ' SG ' ' A' ' 24' ' ' CYS . 20.6 t -134.18 104.48 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 123.581 0.753 . . . . 75.42 109.356 -173.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 68.93 -68.77 0.17 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.566 0.746 . . . . 72.33 109.394 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.67 12.59 0.22 Allowed Glycine 0 CA--C 1.519 0.288 0 CA-C-N 115.234 -0.893 . . . . 71.03 112.254 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -109.85 144.24 38.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.333 -0.617 . . . . 62.34 109.333 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.2 m -113.9 133.59 55.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 64.32 111.174 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -136.85 175.7 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.637 -0.71 . . . . 74.31 109.909 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 p -113.81 140.58 48.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.257 -0.429 . . . . 65.01 110.251 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 20' ' ' CYS . 31.5 m -139.11 167.17 20.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.097 -0.501 . . . . 61.44 109.949 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.411 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 15.2 m -64.51 -45.78 85.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.767 0.317 . . . . 73.31 110.412 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -165.7 -173.78 2.85 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.649 0.737 . . . . 73.22 111.344 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.674 ' HA ' HG21 ' A' ' 34' ' ' VAL . 24.4 t -52.57 -49.37 65.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.593 -1.185 . . . . 73.43 111.176 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -57.33 -40.05 77.16 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.84 0.352 . . . . 73.42 110.756 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 15' ' ' SER . 5.9 mp0 -64.67 -48.64 74.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.142 -0.481 . . . . 75.2 110.418 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HB2' HG21 ' A' ' 14' ' ' VAL . 43.9 t -55.62 -52.03 65.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.015 0.436 . . . . 73.33 110.437 178.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -52.38 -52.05 55.69 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.707 -0.678 . . . . 75.25 110.71 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.26 -44.79 88.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.967 -0.56 . . . . 74.14 110.179 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.37 -57.29 13.41 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.36 -0.382 . . . . 74.03 110.766 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.672 ' SG ' HG22 ' A' ' 7' ' ' VAL . 68.8 m -59.42 -43.17 93.11 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.142 -177.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 25' ' ' ARG . 51.1 mtt180 -71.64 -26.93 62.75 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.244 -0.435 . . . . 71.2 110.992 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.53 -39.62 73.95 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.514 -0.551 . . . . 73.21 109.514 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.4 -25.23 61.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.542 -0.754 . . . . 74.34 109.987 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.16 13.82 61.41 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.75 -0.659 . . . . 63.21 111.885 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.12 118.82 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.948 -0.39 . . . . 61.2 109.948 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -78.38 -35.56 47.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 45.02 110.191 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -69.03 98.96 1.02 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.32 -0.622 . . . . 51.41 109.32 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 38.2 t -160.55 139.82 10.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.997 -0.372 . . . . 73.21 109.997 -175.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -143.76 137.27 27.96 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.199 0.199 . . . . 75.42 110.654 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 17' ' ' SER . 4.4 p -113.58 118.62 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.21 0.528 . . . . 73.13 110.321 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 53.4 t-80 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 71.3 109.786 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.8 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.903 -0.406 . . . . 43.24 109.903 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 35' ' ' HIS . 4.9 mp0 -112.77 129.21 56.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.382 -0.599 . . . . 75.24 109.382 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.2 t -117.52 130.53 56.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.584 -0.735 . . . . 61.11 109.096 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.672 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 1.7 m-20 -112.96 111.25 21.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.543 -0.54 . . . . 71.25 109.543 -176.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' A' ' 9' ' ' GLY . 40.0 t -113.33 110.15 31.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 123.719 0.637 . . . . 73.43 109.824 -174.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t30 69.83 -22.14 0.16 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.504 0.722 . . . . 74.01 112.365 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . 151.43 -17.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.282 -0.727 . . . . 44.15 111.282 -176.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.58 148.27 24.17 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.943 -0.392 . . . . 74.45 109.943 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.5 m -113.65 119.1 36.29 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.095 0.474 . . . . 74.0 110.792 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.55 168.48 9.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.616 -0.72 . . . . 71.03 110.091 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 p -113.93 132.03 56.09 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.542 -0.54 . . . . 75.34 109.542 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -129.41 166.39 27.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.991 -0.55 . . . . 53.13 110.384 -175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.673 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 15.3 t -79.1 -28.07 42.99 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.375 -0.375 . . . . 70.0 111.231 -176.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.438 ' H ' ' HB2' ' A' ' 19' ' ' GLU . 49.4 m -163.89 171.67 15.05 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.695 0.284 . . . . 73.22 110.831 -175.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 p -61.25 -47.88 83.99 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.791 0.329 . . . . 55.42 110.326 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 1.7 pm0 -55.46 -32.85 63.12 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.931 -0.577 . . . . 71.12 110.789 174.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.673 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 11.7 mm-40 -71.3 -35.3 71.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.52 -0.309 . . . . 73.2 110.386 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' A' ' 34' ' ' VAL . 17.8 t -59.81 -58.55 8.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.41 -0.359 . . . . 71.32 110.666 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 15.2 pt-20 -59.55 -40.3 86.79 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.319 0.581 . . . . 74.2 110.172 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 68.9 ttt180 -54.37 -48.01 72.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.962 -1.017 . . . . 73.44 110.457 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.55 -45.18 92.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.734 -0.666 . . . . 73.43 109.439 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.5 m -59.66 -36.48 76.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.783 -0.644 . . . . 63.32 110.975 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HA ' HH11 ' A' ' 25' ' ' ARG . 11.2 mmm180 -72.66 -30.95 64.71 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.582 -0.281 . . . . 74.31 110.503 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -69.27 -43.82 73.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 72.4 110.184 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.8 mt -75.38 -34.22 61.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.316 -0.402 . . . . 74.13 110.936 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.21 42.57 4.9 Favored Glycine 0 CA--C 1.517 0.218 0 CA-C-N 116.104 -0.498 . . . . 52.21 112.137 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -124.06 143.02 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 110.029 -0.36 . . . . 64.22 110.029 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.6 m -96.22 -31.73 12.8 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.967 0.413 . . . . 65.54 111.247 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -77.62 104.56 8.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 63.11 110.881 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.672 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 64.4 m -147.49 159.24 43.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 61.22 110.273 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HB3' ' HB2' ' A' ' 6' ' ' ASP . 5.9 tpp180 -144.76 148.54 34.22 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.31 -0.626 . . . . 64.23 109.31 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.443 HG12 ' SG ' ' A' ' 20' ' ' CYS . 23.7 m -113.49 148.14 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 73.34 111.154 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 33.2 m-70 . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 108.864 -0.791 . . . . 74.32 108.864 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.7 m . . . . . 0 C--O 1.231 0.094 0 N-CA-C 109.832 -0.432 . . . . 72.44 109.832 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -113.81 136.51 52.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.516 0.674 . . . . 73.02 112.394 -168.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.7 t -114.01 139.16 49.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.865 -1.061 . . . . 53.5 108.85 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 11.9 t70 -114.9 143.21 45.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.586 -0.524 . . . . 74.12 109.586 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -135.74 99.75 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.362 -0.607 . . . . 72.15 109.362 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 62.99 3.76 1.33 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 122.889 0.476 . . . . 73.04 111.578 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.11 -28.47 3.49 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.167 -0.539 . . . . 33.22 112.46 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -75.05 143.96 43.24 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.807 -0.442 . . . . 72.42 109.807 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.2 m -113.53 133.26 55.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 73.22 110.991 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -129.68 173.82 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.402 -0.817 . . . . 75.44 109.004 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -113.34 135.05 54.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.043 0.449 . . . . 73.2 110.569 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 22.7 m -140.97 153.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.562 -0.745 . . . . 71.14 109.552 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.0 t -63.74 -30.46 71.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.755 -0.202 . . . . 73.45 110.879 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -169.38 176.64 5.03 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.361 0.601 . . . . 74.04 111.15 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -62.08 -33.58 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.433 -0.803 . . . . 64.44 111.243 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.41 -45.24 88.8 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.468 -0.567 . . . . 52.2 109.468 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.546 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . 12.8 tp10 -65.23 -40.0 93.49 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.115 -0.948 . . . . 63.44 109.563 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.607 ' SG ' HG12 ' A' ' 34' ' ' VAL . 41.3 t -58.17 -54.07 51.13 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.948 -0.569 . . . . 73.12 110.945 176.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.649 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 32.6 mt-10 -61.36 -33.9 74.4 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.486 -0.324 . . . . 74.12 111.034 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 65.3 ttt180 -58.98 -46.41 88.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.73 -0.668 . . . . 60.42 109.638 175.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 tp -62.2 -46.14 90.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.703 -0.68 . . . . 74.14 110.629 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -53.06 -56.03 19.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.121 0.486 . . . . 71.01 110.968 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.649 ' NH1' ' HB3' ' A' ' 21' ' ' GLU . 80.7 mtt85 -68.29 -32.27 72.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.539 -0.755 . . . . 73.1 111.049 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.31 -45.26 92.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 72.43 110.389 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.46 -26.93 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 72.22 110.345 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.37 14.04 54.54 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.733 -0.667 . . . . 64.53 112.078 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.05 132.89 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.308 . . . . 74.43 110.474 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.5 p -94.34 -39.23 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 74.43 110.287 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -72.81 87.12 1.27 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.916 -0.584 . . . . 72.43 110.776 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 29.4 p -152.11 147.3 26.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.227 -0.897 . . . . 64.44 108.972 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 50.7 mtp180 -121.7 147.84 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 63.33 110.918 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.607 HG12 ' SG ' ' A' ' 20' ' ' CYS . 35.7 m -113.83 134.69 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 74.23 110.83 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 63.23 109.541 171.406 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 16' ' ' SER . 61.2 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.45 0.643 . . . . 72.43 111.352 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -113.8 142.89 45.51 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.661 -1.237 . . . . 75.34 107.661 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.4 m -138.52 146.11 41.55 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.987 0.422 . . . . 74.11 111.242 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 17.1 t70 -113.45 139.02 49.27 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.121 -1.066 . . . . 74.43 108.121 174.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 9' ' ' GLY . 61.0 t -140.29 104.3 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.05 -0.722 . . . . 74.13 109.05 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 69.56 -27.62 0.16 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.574 0.546 . . . . 73.32 112.417 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . 155.57 -15.2 0.46 Allowed Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.419 -0.672 . . . . 73.31 111.419 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -91.5 147.42 23.03 Favored 'General case' 0 CA--C 1.528 0.135 0 N-CA-C 109.525 -0.546 . . . . 72.23 109.525 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.7 m -113.74 137.25 51.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 55.23 110.498 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -133.24 162.07 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 75.5 109.403 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.4 p -113.85 131.2 56.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.652 -0.499 . . . . 75.33 109.652 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -131.39 179.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 74.42 110.301 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t -64.03 -76.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 65.43 110.454 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.419 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 6.8 m -141.89 -174.5 4.1 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.132 -0.486 . . . . 71.11 110.288 -176.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 m -51.32 -37.33 47.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.344 -0.389 . . . . 73.12 110.955 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -52.79 -62.69 1.49 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.577 -0.738 . . . . 74.52 109.942 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.26 -33.95 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.977 -1.011 . . . . 75.31 110.409 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.644 ' SG ' HG22 ' A' ' 34' ' ' VAL . 6.8 t -61.94 -60.4 3.68 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.653 -0.703 . . . . 51.01 110.784 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.0 -39.76 86.88 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.33 0.586 . . . . 64.22 110.388 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -55.64 -42.98 75.76 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.211 -0.904 . . . . 75.31 110.872 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 7' ' ' VAL . 7.3 tt -63.62 -44.03 95.13 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.537 -0.542 . . . . 62.13 109.537 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.2 m -54.18 -53.21 56.48 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.358 0.599 . . . . 73.33 110.16 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -73.64 -17.57 61.14 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.31 -0.859 . . . . 74.55 111.098 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -73.74 -45.87 49.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.198 -0.455 . . . . 71.33 109.832 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.7 mt -78.7 -21.05 48.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.959 -0.564 . . . . 74.42 110.116 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.91 11.53 61.55 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.69 -0.686 . . . . 75.43 111.992 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 t -104.94 113.43 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.96 -0.385 . . . . 75.24 109.96 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.0 m -76.6 -23.56 53.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.222 0.534 . . . . 72.14 110.36 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -69.2 91.1 0.5 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.753 -0.658 . . . . 74.45 109.941 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.9 p -155.07 160.31 40.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.284 -0.417 . . . . 74.51 110.64 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 23.9 mmt180 -132.15 151.23 51.9 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.89 0.476 . . . . 72.01 110.318 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.644 HG22 ' SG ' ' A' ' 20' ' ' CYS . 45.4 t -113.74 130.44 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 64.13 110.008 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 . . . . . 0 C--N 1.33 -0.279 0 N-CA-C 109.172 -0.677 . . . . 70.11 109.172 -179.654 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.9 t . . . . . 0 C--O 1.236 0.37 0 CA-C-O 120.926 0.393 . . . . 53.45 110.176 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -113.71 136.05 53.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.013 -0.54 . . . . 74.42 110.027 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.57 118.81 26.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.784 -1.191 . . . . 65.14 107.784 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 7.3 m-20 -112.88 108.99 18.15 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.253 0.549 . . . . 71.21 110.39 -170.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.6 t -115.07 123.06 70.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.348 -0.842 . . . . 71.04 110.191 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 t30 64.46 -0.29 0.95 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.062 0.545 . . . . 53.14 111.877 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.91 -24.37 7.93 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.634 -0.587 . . . . 64.32 111.634 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -83.53 156.65 22.7 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.982 -0.377 . . . . 72.41 109.982 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.5 m -113.59 124.4 52.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.256 0.551 . . . . 60.45 111.374 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -121.88 144.18 49.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.401 -1.333 . . . . 71.31 107.401 172.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -113.49 137.94 50.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.394 0.616 . . . . 30.24 111.806 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -133.12 179.79 4.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 114.886 -1.052 . . . . 62.42 109.288 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB3' ' OE1' ' A' ' 19' ' ' GLU . 12.2 t -92.69 -50.73 5.44 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 121.1 -0.24 . . . . 72.35 110.813 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.435 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 8.1 m -111.02 146.67 36.29 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.021 0.438 . . . . 73.12 112.003 -174.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.3 t -56.98 -35.82 69.61 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.79 -0.641 . . . . 74.34 109.427 174.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.33 -48.85 73.56 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.366 -0.834 . . . . 65.43 108.951 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.435 ' HG3' ' HB2' ' A' ' 16' ' ' SER . 50.2 mt-10 -66.19 -36.96 84.46 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.384 -0.825 . . . . 64.42 111.787 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.9 t -59.67 -63.48 1.28 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.796 0.332 . . . . 73.52 110.698 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 6.5 mm-40 -53.27 -45.42 68.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.106 -0.497 . . . . 54.25 110.443 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -54.47 -48.57 71.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.369 -0.832 . . . . 64.22 110.688 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 63.6 tp -59.98 -55.44 34.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.275 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.3 m -59.9 -37.25 78.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.029 -0.532 . . . . 73.24 111.679 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 25.5 mmt-85 -77.9 -25.14 48.29 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.71 0.291 . . . . 60.52 110.356 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -78.42 -24.64 46.08 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.494 -0.558 . . . . 75.21 109.494 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 90.9 mt -79.91 -33.96 39.42 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.075 -0.713 . . . . 62.35 109.075 171.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.29 25.4 26.36 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.104 -0.953 . . . . 74.21 112.099 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.79 136.11 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.159 -0.311 . . . . 63.01 110.159 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.5 m -91.48 -33.82 15.05 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.375 -0.375 . . . . 73.1 111.838 -175.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -80.33 48.04 0.98 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.299 0.571 . . . . 73.52 111.53 -175.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 11.6 t -113.8 143.69 44.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 52.42 109.779 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -131.87 146.53 52.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.715 -0.476 . . . . 75.42 109.715 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.74 138.62 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 62.52 111.027 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.0 t60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 75.3 109.764 178.367 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.2 m . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.986 0.422 . . . . 73.12 110.427 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.36 159.7 19.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.64 . . . . 53.4 109.554 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.9 t -142.29 139.3 31.83 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.699 -0.682 . . . . 73.12 109.211 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.445 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 9.8 t70 -113.65 135.8 53.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.357 -0.979 . . . . 72.33 108.357 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.442 HG22 ' SG ' ' A' ' 24' ' ' CYS . 44.1 t -139.82 103.07 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.073 -0.714 . . . . 74.54 109.073 -174.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 61.5 11.83 4.05 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.245 0.545 . . . . 75.3 111.084 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.07 -29.09 5.66 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.182 -0.533 . . . . 60.24 112.503 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -81.47 143.96 31.71 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.008 -0.367 . . . . 64.11 110.008 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.7 m -114.17 117.68 31.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.924 0.392 . . . . 52.33 111.158 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -113.75 168.13 10.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.511 . . . . 75.41 109.744 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.0 p -113.48 131.84 55.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.044 0.449 . . . . 72.23 110.215 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 20' ' ' CYS . 26.7 m -125.19 163.55 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 74.32 111.193 -172.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.0 t -62.0 -30.17 70.77 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.924 -0.58 . . . . 74.32 111.771 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.42 ' H ' ' HB3' ' A' ' 19' ' ' GLU . 45.9 p -167.36 170.04 11.82 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.485 0.66 . . . . 54.13 111.811 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 m -55.8 -43.52 76.93 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.088 -0.96 . . . . 62.01 110.424 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 14.4 pt-20 -66.49 -38.03 86.37 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 109.73 -0.47 . . . . 71.33 109.73 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HB3' ' H ' ' A' ' 16' ' ' SER . 9.5 tp10 -64.37 -31.42 72.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.083 -0.508 . . . . 65.11 110.357 -177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.587 ' SG ' HG22 ' A' ' 34' ' ' VAL . 11.8 t -55.6 -67.1 0.31 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.903 0.382 . . . . 73.31 111.19 174.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -59.77 -39.27 84.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.045 0.45 . . . . 64.02 110.304 -179.031 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -55.71 -41.87 74.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.321 -0.854 . . . . 74.31 110.801 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.4 tp -66.09 -47.96 72.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.094 -0.503 . . . . 74.42 109.835 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 96.5 m -57.14 -38.4 73.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.627 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -67.44 -33.77 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.058 0.456 . . . . 72.11 110.138 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -33.22 75.14 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.854 -0.612 . . . . 75.45 109.678 175.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.06 -27.64 35.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.741 -0.663 . . . . 73.14 110.804 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.99 15.23 49.53 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 116.143 -0.48 . . . . 63.21 112.037 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 57.9 t -110.54 139.23 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.727 0.298 . . . . 75.5 110.297 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 p -108.45 -16.65 14.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.397 -0.365 . . . . 71.32 111.096 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -77.94 79.93 4.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.405 0.621 . . . . 61.12 110.106 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 86.0 m -138.76 -179.92 6.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.948 -1.024 . . . . 72.31 110.211 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 55.2 ttt180 -152.72 151.9 31.06 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.319 -0.623 . . . . 73.5 109.319 175.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.587 HG22 ' SG ' ' A' ' 20' ' ' CYS . 49.0 t -113.19 140.58 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.992 -0.373 . . . . 73.24 109.992 -177.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.78 0.324 . . . . 62.22 111.007 -179.097 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.284 0.564 . . . . 62.13 110.72 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.86 165.46 12.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.725 -0.67 . . . . 73.04 110.124 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.6 t -141.05 135.52 31.12 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.243 -0.651 . . . . 74.03 109.243 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -113.7 135.45 53.93 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.117 -0.697 . . . . 72.11 109.117 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 43.6 t -139.29 104.5 2.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.193 -0.669 . . . . 64.03 109.193 -173.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 7.6 t30 69.1 2.81 3.77 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.152 0.501 . . . . 51.42 110.989 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.15 -15.44 18.37 Favored Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.679 -0.569 . . . . 42.4 111.679 -175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -80.07 137.65 36.82 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.991 -0.744 . . . . 75.44 108.991 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.5 m -113.75 116.75 29.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.292 0.567 . . . . 74.24 111.318 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -113.86 173.38 6.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.214 -0.903 . . . . 72.15 109.72 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p -113.96 140.25 48.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.796 0.332 . . . . 74.42 110.557 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 20' ' ' CYS . 28.7 m -142.73 155.94 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.155 -0.475 . . . . 63.01 110.08 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -84.82 -13.22 51.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.747 -0.206 . . . . 71.23 111.145 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.5 p -156.57 156.68 34.0 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.496 0.665 . . . . 75.41 111.888 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 p -60.64 -30.6 69.98 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.457 -0.792 . . . . 65.25 109.543 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.89 -45.9 91.02 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.385 -0.825 . . . . 73.33 109.443 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.1 -39.6 94.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.285 -0.871 . . . . 44.53 110.868 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.406 ' HB2' HG21 ' A' ' 14' ' ' VAL . 51.2 t -56.47 -56.42 21.4 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 120.925 0.393 . . . . 73.32 110.57 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -56.96 -45.47 82.82 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.067 -0.515 . . . . 61.04 110.339 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -53.16 -46.19 68.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.424 -0.807 . . . . 71.24 110.608 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.8 tp -64.8 -58.54 5.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.399 -0.364 . . . . 71.32 110.412 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.0 t -53.8 -52.88 58.87 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.433 0.635 . . . . 60.33 111.34 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -69.53 -34.32 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.533 -0.758 . . . . 64.24 111.628 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -65.85 -48.45 71.55 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.764 -0.458 . . . . 75.44 109.764 176.549 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.97 -31.41 71.76 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.917 -0.583 . . . . 75.53 110.221 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.13 34.39 7.62 Favored Glycine 0 CA--C 1.508 -0.389 0 N-CA-C 110.816 -0.913 . . . . 75.21 110.816 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 30' ' ' THR . 44.4 t -106.72 154.18 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.949 -0.626 . . . . 71.14 110.021 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.412 ' O ' HG12 ' A' ' 29' ' ' VAL . 13.5 t -118.8 177.81 4.71 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.071 -0.714 . . . . 70.03 109.071 172.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 t30 64.47 47.59 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.676 0.751 . . . . 55.35 109.419 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 p -113.86 149.43 35.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.598 -0.728 . . . . 73.14 110.11 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -143.25 156.37 44.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 53.04 109.689 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.59 138.55 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.692 0.282 . . . . 62.33 110.523 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.408 . . . . 65.43 110.366 -179.532 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.234 0.26 0 N-CA-C 109.847 -0.427 . . . . 64.24 109.847 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 12.2 pt-20 -132.13 163.42 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 74.4 110.583 -177.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.4 t -150.31 130.95 13.98 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.02 -0.733 . . . . 75.04 109.02 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.67 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 11.3 t70 -113.03 101.2 9.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.081 -0.711 . . . . 64.31 109.081 -178.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.582 HG23 ' SG ' ' A' ' 32' ' ' CYS . 7.6 p -113.39 132.21 62.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 114.971 -1.013 . . . . 70.25 109.922 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.7 t30 66.22 4.39 3.13 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.974 -0.557 . . . . 64.01 111.156 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.45 -11.29 33.26 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.214 -0.517 . . . . 73.44 112.548 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' ASP . 54.3 mt-10 -101.93 148.58 25.16 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.988 -0.375 . . . . 73.51 109.988 178.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 30.8 m -113.01 117.26 31.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.367 0.603 . . . . 53.5 111.174 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -113.81 177.59 4.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.097 -0.956 . . . . 73.35 109.181 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 41.3 p -113.77 134.13 54.95 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.944 -0.391 . . . . 65.44 109.944 177.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.74 158.54 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 70.33 110.884 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.2 p -65.38 -43.86 89.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.833 -0.621 . . . . 74.11 111.004 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -152.42 169.14 23.3 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.422 0.63 . . . . 53.12 111.616 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 t -58.83 -40.64 84.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.503 -0.771 . . . . 42.41 110.12 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.62 -31.14 72.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.776 -0.647 . . . . 73.31 110.546 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -70.41 -37.79 74.52 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.476 -0.564 . . . . 73.35 109.476 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -57.39 -60.48 3.58 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.873 -0.603 . . . . 53.34 110.833 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.3 -40.34 85.85 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.877 0.37 . . . . 73.34 110.95 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -54.12 -49.95 68.0 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.82 -0.627 . . . . 72.43 110.401 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.28 -43.54 96.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 75.22 110.395 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.1 m -56.8 -56.78 17.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 54.34 110.86 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.85 -31.9 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 73.1 110.439 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -67.66 -48.22 67.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 75.32 110.51 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -76.0 -14.31 60.23 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.084 -0.507 . . . . 73.24 110.844 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 29.17 35.12 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 116.062 -0.517 . . . . 74.22 112.106 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.39 139.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.751 -0.462 . . . . 64.23 109.751 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 44.9 p -97.43 -28.39 14.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.751 0.31 . . . . 62.44 111.577 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -105.7 118.87 37.68 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.06 0.457 . . . . 72.5 111.276 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.67 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 61.5 m -142.06 164.83 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.13 -0.941 . . . . 74.13 109.131 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 10.5 ttm180 -131.67 127.48 37.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.733 -0.469 . . . . 72.12 109.733 175.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.83 133.61 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.957 0.408 . . . . 73.13 111.365 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 27.1 t-80 . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 115.761 -0.654 . . . . 75.3 109.534 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--O 1.231 0.112 0 N-CA-C 109.871 -0.418 . . . . 75.53 109.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.476 ' HG2' HG22 ' A' ' 13' ' ' THR . 42.4 mt-10 -113.57 158.15 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.178 -0.465 . . . . 64.54 109.816 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.455 ' SG ' HG22 ' A' ' 14' ' ' VAL . 87.3 m -147.31 165.92 28.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.389 -0.369 . . . . 74.42 110.852 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.3 t70 -141.47 151.28 43.22 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.455 -0.572 . . . . 72.54 109.455 177.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.617 HG22 ' SG ' ' A' ' 24' ' ' CYS . 53.9 t -141.03 99.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.998 -0.742 . . . . 74.2 108.998 -177.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 56.35 10.09 0.61 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.039 0.535 . . . . 74.53 112.278 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.55 -32.86 2.34 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 120.809 -0.71 . . . . 72.34 112.906 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -83.8 142.25 30.79 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 110.17 -0.308 . . . . 75.53 110.17 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.9 m -113.48 133.34 55.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.963 0.411 . . . . 61.11 111.277 -173.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -128.63 178.92 5.98 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.662 -0.699 . . . . 71.15 110.048 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.476 HG22 ' HG2' ' A' ' 4' ' ' GLU . 19.5 p -133.48 135.71 44.65 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.215 -0.291 . . . . 63.34 110.215 174.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' A' ' 20' ' ' CYS . 27.0 m -132.6 170.61 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 71.41 111.134 -176.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.555 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 37.0 t -66.04 -48.41 71.18 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.105 -0.498 . . . . 74.21 110.695 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.6 p -153.54 172.74 16.7 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.378 -0.374 . . . . 70.15 110.778 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 p -56.55 -33.54 66.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 65.35 110.682 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.31 -58.01 10.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.744 -0.662 . . . . 53.12 110.04 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.555 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 19.8 mm-40 -58.43 -33.08 69.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.274 -0.875 . . . . 64.13 110.827 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.786 ' SG ' HG22 ' A' ' 34' ' ' VAL . 9.4 t -62.66 -55.71 24.38 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.658 -0.701 . . . . 72.51 110.225 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 81.6 mm-40 -54.84 -51.4 65.98 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.59 -0.732 . . . . 75.34 109.789 177.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -50.57 -45.15 57.02 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.32 -0.4 . . . . 75.25 110.954 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.3 tp -61.25 -61.56 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 64.2 110.736 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.617 ' SG ' HG22 ' A' ' 7' ' ' VAL . 72.6 m -60.72 -43.24 98.1 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 116.477 -0.329 . . . . 70.11 111.846 -174.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 20.0 mmt180 -66.72 -41.29 88.17 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 110.145 -0.317 . . . . 62.32 110.145 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.3 -41.14 97.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.471 -0.331 . . . . 63.34 110.413 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 93.8 mt -61.5 -35.09 76.72 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.416 -0.587 . . . . 60.04 109.416 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.39 23.64 9.43 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.557 -0.747 . . . . 43.13 112.001 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.74 116.89 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.848 -0.427 . . . . 64.12 109.848 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.0 m -75.28 -38.33 60.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.955 -0.566 . . . . 60.35 110.348 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -70.97 84.82 0.69 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.661 0.743 . . . . 73.21 109.605 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t -136.51 162.28 33.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.507 -1.224 . . . . 43.3 108.606 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 38.2 ttm180 -143.55 143.11 31.39 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.402 -0.222 . . . . 75.44 110.402 -175.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.786 HG22 ' SG ' ' A' ' 20' ' ' CYS . 44.7 t -116.61 140.49 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.413 -0.358 . . . . 75.22 110.486 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 . . . . . 0 C--O 1.222 -0.372 0 N-CA-C 109.697 -0.482 . . . . 64.22 109.697 177.108 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.497 0.665 . . . . 42.01 110.743 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 41.3 mt-10 -132.98 174.26 10.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.249 -0.887 . . . . 64.33 109.869 -177.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 t -149.05 133.39 17.48 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.517 -0.92 . . . . 70.25 108.517 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 7.1 m-20 -113.3 104.35 12.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.169 0.509 . . . . 71.54 111.014 -172.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.512 HG22 ' SG ' ' A' ' 24' ' ' CYS . 56.5 t -113.13 110.54 32.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.628 -0.715 . . . . 75.55 109.871 -175.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.8 t30 59.41 21.16 9.5 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.446 0.641 . . . . 75.11 110.877 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.62 -19.5 47.39 Favored Glycine 0 C--N 1.329 0.139 0 C-N-CA 121.172 -0.537 . . . . 60.3 112.316 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.93 143.61 41.54 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.425 -0.583 . . . . 61.34 109.425 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.6 m -113.42 119.39 37.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.138 0.494 . . . . 50.41 110.774 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -113.7 168.27 9.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.589 -0.732 . . . . 74.42 109.108 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 1.5 p -113.55 134.99 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 70.44 110.606 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.526 HG21 ' HB2' ' A' ' 20' ' ' CYS . 26.7 m -138.16 168.03 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 72.32 110.476 -177.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.1 m -63.44 -46.44 86.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.911 -0.586 . . . . 55.14 110.946 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 p -169.15 -174.55 2.04 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.32 -0.4 . . . . 55.34 110.45 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 m -50.47 -40.35 50.58 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.029 -0.532 . . . . 75.33 110.88 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -50.72 -55.37 16.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.319 -0.855 . . . . 65.02 110.776 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.54 -27.99 58.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.471 -0.786 . . . . 73.23 111.264 -174.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.526 ' HB2' HG21 ' A' ' 14' ' ' VAL . 35.2 t -60.05 -59.6 5.17 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 109.431 -0.581 . . . . 52.42 109.431 174.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 45.5 mt-10 -57.92 -43.24 86.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.592 -0.731 . . . . 74.55 110.309 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 22' ' ' ARG . 45.3 ttp180 -59.2 -41.31 88.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.421 -0.354 . . . . 72.13 111.137 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 57.2 tp -64.34 -48.49 75.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.015 0.436 . . . . 63.34 110.114 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.512 ' SG ' HG22 ' A' ' 7' ' ' VAL . 55.7 m -63.97 -39.05 93.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.881 -0.6 . . . . 74.34 111.048 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 84.9 mtp180 -65.33 -38.83 91.35 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.797 -0.446 . . . . 75.24 109.797 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -59.87 -46.7 88.47 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.693 -0.685 . . . . 60.13 109.714 175.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 85.9 mt -68.92 -21.61 64.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.476 -0.784 . . . . 71.42 110.261 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.42 44.06 22.9 Favored Glycine 0 C--N 1.334 0.448 0 N-CA-C 111.096 -0.801 . . . . 73.41 111.096 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.492 HG11 HG13 ' A' ' 7' ' ' VAL . 13.3 p -129.82 131.71 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.405 -0.398 . . . . 44.24 110.628 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.6 p -86.9 -29.71 21.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.948 0.404 . . . . 71.24 110.029 176.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -69.15 78.08 0.35 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.687 0.756 . . . . 75.44 109.615 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 8.9 t -150.19 148.04 28.45 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.401 -1.272 . . . . 75.11 108.743 -174.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 30.9 mtp180 -138.76 162.53 34.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.411 -0.959 . . . . 64.14 108.411 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.1 t -112.77 117.11 54.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.152 -0.684 . . . . 72.41 109.152 -176.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 3.7 t-160 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.865 -0.607 . . . . 74.23 110.407 -171.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 16' ' ' SER . 15.0 m . . . . . 0 C--O 1.236 0.35 0 CA-C-O 120.786 0.327 . . . . 72.53 110.706 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -113.13 135.01 54.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.749 -0.834 . . . . 71.44 108.749 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 88.5 m -133.91 147.11 51.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.987 0.422 . . . . 61.43 111.425 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.465 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 18.2 t70 -113.85 151.41 32.17 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.935 -0.765 . . . . 62.21 108.935 173.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG13 HG11 ' A' ' 29' ' ' VAL . 50.2 t -143.13 99.73 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.904 -0.776 . . . . 72.02 108.904 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 57.82 19.62 5.85 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.179 0.437 . . . . 73.45 112.179 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.56 7.53 34.19 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.69 -0.767 . . . . 61.24 113.084 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -112.8 140.53 47.51 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.465 -0.568 . . . . 74.12 109.465 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.0 m -113.42 124.3 52.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.217 0.532 . . . . 72.32 111.694 -170.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -134.36 162.19 32.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.384 -0.825 . . . . 75.33 109.422 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.1 p -113.72 140.12 48.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.633 0.254 . . . . 72.43 110.352 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' A' ' 20' ' ' CYS . 27.0 m -125.96 160.1 33.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.219 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 t -69.53 -24.74 63.78 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.608 -0.269 . . . . 51.11 111.536 -176.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.68 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 22.3 t -166.81 169.69 13.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.729 0.299 . . . . 74.12 110.928 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -63.33 -37.45 87.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.068 -0.515 . . . . 63.43 110.268 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 16.6 tp10 -58.78 -50.49 73.75 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.369 -0.604 . . . . 72.21 109.369 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -56.81 -35.63 68.99 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.781 -0.645 . . . . 73.23 110.947 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.822 ' SG ' HG22 ' A' ' 34' ' ' VAL . 11.7 t -59.05 -49.27 78.52 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 109.717 -0.475 . . . . 64.04 109.717 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 57.8 mm-40 -56.48 -50.25 72.31 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-N 115.627 -0.715 . . . . 63.41 110.254 175.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 29.9 mmt85 -50.85 -56.57 11.57 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.206 -0.452 . . . . 63.12 110.729 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.55 -50.66 72.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 73.32 111.289 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.5 -50.41 73.84 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.129 -0.487 . . . . 61.34 110.941 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 24.7 mmt180 -71.0 -28.6 64.54 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.429 -0.351 . . . . 64.34 110.505 -177.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 8.9 tmtt? -68.26 -45.81 72.13 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.312 -0.625 . . . . 52.14 109.312 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.55 -30.61 68.45 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.921 -0.581 . . . . 75.33 109.84 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.06 31.48 7.63 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.798 -0.637 . . . . 73.21 111.954 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG11 HG13 ' A' ' 7' ' ' VAL . 57.8 t -98.76 143.86 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.092 -0.336 . . . . 75.14 110.092 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.2 m -101.12 -32.88 10.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.09 0.472 . . . . 74.53 110.528 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -93.21 83.6 4.66 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.234 0.54 . . . . 43.33 110.962 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 67.5 m -126.61 135.67 51.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.375 -0.829 . . . . 73.14 108.787 174.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -113.95 132.4 55.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.872 -0.418 . . . . 72.2 109.872 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.822 HG22 ' SG ' ' A' ' 20' ' ' CYS . 40.4 t -113.79 133.69 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.989 0.423 . . . . 71.02 111.581 -175.096 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.511 -0.768 . . . . 65.4 109.024 171.488 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.234 0.26 0 N-CA-C 109.337 -0.616 . . . . 73.14 109.337 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.57 172.55 6.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.199 0.524 . . . . 72.1 110.693 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.1 t -144.15 140.61 29.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.333 -0.849 . . . . 71.32 109.278 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 9.9 t70 -113.79 133.25 55.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.919 -0.771 . . . . 71.22 108.919 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.8 t -137.93 102.47 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.195 -0.668 . . . . 44.32 109.195 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 61.68 15.97 7.38 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.048 0.539 . . . . 72.44 111.153 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.22 -4.82 31.64 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.013 -0.613 . . . . 65.55 112.931 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 6' ' ' ASP . 12.6 tp10 -93.06 148.31 22.11 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.957 -0.386 . . . . 74.32 109.957 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.0 m -113.86 117.15 30.61 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.243 0.544 . . . . 73.2 111.67 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -114.06 175.53 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.992 -0.744 . . . . 72.43 108.992 172.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 p -113.92 136.84 52.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.745 0.307 . . . . 65.02 110.682 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 20' ' ' CYS . 23.5 m -137.59 168.6 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 62.21 111.015 -176.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.485 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 4.6 m -62.23 -39.01 91.38 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.924 -0.58 . . . . 70.34 110.935 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.2 t -172.68 177.75 2.84 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.77 -0.65 . . . . 74.5 109.473 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -55.41 -39.63 70.46 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.024 0.44 . . . . 75.12 110.735 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 2.1 mp0 -55.72 -48.41 75.22 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.663 -0.698 . . . . 65.45 109.647 176.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' CD ' HH21 ' A' ' 22' ' ' ARG . 7.2 tp10 -62.34 -36.85 83.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.19 -0.914 . . . . 74.01 110.134 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.523 ' HB2' HG21 ' A' ' 14' ' ' VAL . 37.7 t -60.98 -45.86 93.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.975 -0.557 . . . . 64.45 110.617 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -66.15 -42.89 88.42 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.575 -0.528 . . . . 74.11 109.575 -177.383 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.514 HH21 ' CD ' ' A' ' 19' ' ' GLU . 20.8 mtm180 -60.89 -44.83 96.56 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 116.261 -0.427 . . . . 54.12 111.05 177.006 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.06 -43.91 97.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.024 0.44 . . . . 74.41 110.144 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.0 t -56.32 -47.67 78.28 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.772 -0.649 . . . . 73.44 110.079 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 2.8 mmp_? -67.55 -29.45 68.83 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.635 -0.711 . . . . 75.33 111.162 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 55.5 mmtt -67.97 -46.88 70.15 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.839 0.352 . . . . 55.41 110.535 176.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.92 -29.76 70.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.955 -0.566 . . . . 71.34 109.654 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.69 19.17 30.24 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 115.578 -0.737 . . . . 73.11 111.623 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.73 154.77 3.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 122.701 0.4 . . . . 64.42 110.574 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.3 p -111.9 -33.61 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.191 0.519 . . . . 53.35 109.878 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -74.2 89.65 2.03 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.636 -0.711 . . . . 72.33 110.004 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 83.0 m -144.78 157.6 44.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.228 -0.442 . . . . 75.33 109.889 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 17.7 ttp180 -149.16 156.3 41.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.25 -0.648 . . . . 71.21 109.25 -175.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.8 m -113.69 149.57 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.984 0.421 . . . . 63.44 111.726 -173.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--N 1.332 -0.169 0 N-CA-C 109.238 -0.653 . . . . 73.45 109.238 176.071 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.233 0.235 0 N-CA-C 109.346 -0.613 . . . . 74.22 109.346 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -125.84 146.63 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 122.141 0.176 . . . . 71.02 110.764 -174.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 85.8 m -140.43 144.22 36.01 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.788 0.328 . . . . 62.21 111.706 -176.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.542 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 16.8 t70 -113.46 109.2 18.29 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.586 -0.734 . . . . 71.33 109.106 175.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.68 HG12 ' HB3' ' A' ' 32' ' ' CYS . 4.2 m -113.33 101.51 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 123.192 0.597 . . . . 71.32 110.252 -178.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.448 ' HB2' HG13 ' A' ' 29' ' ' VAL . 66.0 t30 64.14 19.67 11.86 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.549 -0.751 . . . . 71.33 110.891 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.12 -14.73 36.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.218 -0.515 . . . . 53.11 112.366 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.624 ' HB2' HG23 ' A' ' 7' ' ' VAL . 46.5 mm-40 -82.95 140.2 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.4 -0.592 . . . . 71.35 109.4 175.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.9 m -113.77 109.56 18.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.909 0.385 . . . . 65.51 110.32 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -120.06 167.47 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 73.52 109.823 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -113.75 132.98 55.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.831 0.348 . . . . 73.35 110.601 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 20' ' ' CYS . 30.7 m -121.4 171.33 10.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.011 -0.541 . . . . 74.41 110.951 -176.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 m -86.95 -23.13 25.21 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.146 -0.479 . . . . 72.31 111.799 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -166.73 171.83 11.12 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.581 0.229 . . . . 71.15 110.441 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.479 ' HA ' HG21 ' A' ' 34' ' ' VAL . 21.8 p -59.05 -43.97 91.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.54 109.68 174.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.62 -47.42 79.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.414 -0.812 . . . . 73.32 110.35 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -62.27 -32.67 73.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.769 -0.65 . . . . 64.41 110.261 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.561 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 10.7 t -67.39 -46.97 71.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.202 -0.453 . . . . 64.31 109.966 178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.481 ' O ' ' HD2' ' A' ' 25' ' ' ARG . 18.9 mm-40 -58.04 -42.74 86.01 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.792 -0.64 . . . . 71.51 109.94 175.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -61.11 -47.76 84.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.234 -0.893 . . . . 72.11 109.9 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.07 -39.72 94.69 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.607 -0.724 . . . . 74.21 110.701 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.654 ' SG ' ' NH2' ' A' ' 25' ' ' ARG . 35.1 t -61.44 -47.77 84.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.073 -0.512 . . . . 63.12 110.166 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.654 ' NH2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.88 -39.54 90.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.69 0.281 . . . . 75.51 110.599 175.843 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -56.5 -47.96 78.17 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.049 -0.523 . . . . 72.23 110.902 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.518 ' HB2' HG23 ' A' ' 29' ' ' VAL . 82.8 mt -83.81 -22.12 31.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.471 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.12 50.24 13.4 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.055 -0.818 . . . . 75.25 111.055 -177.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 27' ' ' LEU . 61.4 t -88.19 145.21 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 75.03 110.644 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p -75.5 -63.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.84 -0.618 . . . . 52.43 110.441 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -103.62 105.96 16.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.413 -0.812 . . . . 73.35 110.945 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.68 ' HB3' HG12 ' A' ' 7' ' ' VAL . 2.2 p -124.88 120.33 31.36 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.741 -0.466 . . . . 65.52 109.741 174.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 34' ' ' VAL . 19.5 tpt85 -113.82 130.81 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.37 -0.604 . . . . 62.11 109.37 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.561 ' HB ' ' SG ' ' A' ' 20' ' ' CYS . 7.3 p -113.67 140.38 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.254 -0.276 . . . . 53.1 110.254 -177.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 . . . . . 0 C--N 1.328 -0.328 0 N-CA-C 109.397 -0.594 . . . . 72.15 109.397 177.064 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.488 ' HB2' HG23 ' A' ' 14' ' ' VAL . 73.5 m . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.959 0.409 . . . . 74.44 110.258 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.71 123.4 49.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.766 -0.827 . . . . 74.35 108.766 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.8 m -119.67 144.21 47.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.446 0.906 . . . . 63.44 113.446 -166.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 8.1 t70 -113.63 101.31 9.21 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.698 -1.137 . . . . 63.4 108.336 172.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.0 t -113.71 110.72 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 122.983 0.513 . . . . 74.22 110.38 -175.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 63.17 22.2 13.25 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.441 0.638 . . . . 71.55 110.324 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 -17.11 59.27 Favored Glycine 0 C--N 1.33 0.23 0 CA-C-N 115.949 -0.568 . . . . 75.04 111.956 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.26 146.22 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.797 -0.445 . . . . 71.1 109.797 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 m -113.73 113.55 25.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.861 0.363 . . . . 65.24 110.359 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -132.17 161.37 33.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.048 -0.524 . . . . 74.43 110.34 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 p -113.66 133.06 55.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.302 -0.408 . . . . 51.44 110.063 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 20' ' ' CYS . 32.4 m -126.08 165.43 24.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.945 -0.571 . . . . 54.12 110.745 -174.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m -75.81 -38.19 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 75.23 111.668 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 m -146.72 158.45 43.91 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.886 0.374 . . . . 72.24 110.958 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 11.2 p -56.84 -49.8 74.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.939 -0.573 . . . . 51.31 110.739 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -57.6 -41.96 82.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.786 -0.643 . . . . 72.45 110.788 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.59 -36.88 81.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.118 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.536 ' HB2' HG21 ' A' ' 14' ' ' VAL . 28.3 t -56.93 -47.38 80.74 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.269 0.557 . . . . 71.25 109.925 175.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.55 -39.8 95.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.468 -0.787 . . . . 75.51 110.345 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -62.6 -46.25 89.15 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 116.079 -0.51 . . . . 75.55 110.743 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.06 -42.01 99.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.039 0.447 . . . . 71.51 109.914 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.3 t -60.16 -47.54 85.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.762 -0.653 . . . . 64.21 110.261 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -26.76 62.37 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.27 0.557 . . . . 64.5 110.191 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -66.86 -45.05 79.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.557 -0.747 . . . . 75.44 109.237 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.18 -24.5 57.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 75.41 110.337 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.67 42.99 6.63 Favored Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.797 -0.638 . . . . 75.1 111.971 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -112.22 151.39 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 122.487 0.315 . . . . 54.23 110.176 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 p -103.55 -33.56 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.215 0.531 . . . . 61.22 110.531 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -88.69 97.1 10.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 73.44 110.584 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 3.1 p -151.19 119.09 6.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.557 -0.747 . . . . 43.34 109.046 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -113.64 135.21 54.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.554 -0.535 . . . . 73.42 109.554 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.0 136.31 52.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.039 0.447 . . . . 71.55 111.476 -174.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 108.941 -0.763 . . . . 73.31 108.941 173.794 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HB2' HG23 ' A' ' 14' ' ' VAL . 97.5 m . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.739 0.304 . . . . 74.54 110.777 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.501 ' HB2' ' HB2' ' A' ' 35' ' ' HIS . 36.9 mt-10 -115.29 125.35 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.63 -0.507 . . . . 72.12 109.63 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 11' ' ' THR . 80.0 m -113.62 138.45 50.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.803 0.335 . . . . 70.53 111.176 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.51 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 21.6 t70 -113.61 108.48 17.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.721 -0.672 . . . . 70.24 109.769 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 4.5 m -113.01 106.64 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 123.737 0.815 . . . . 63.53 110.629 -178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 67.49 0.81 2.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.882 -0.599 . . . . 64.03 111.747 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.88 -14.06 7.57 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.128 -0.558 . . . . 53.14 111.851 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -88.08 134.82 33.66 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.651 -0.5 . . . . 63.32 109.651 174.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 96.7 m -113.78 115.1 27.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.388 0.613 . . . . 53.2 110.706 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -113.85 172.3 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.436 -0.802 . . . . 71.12 109.448 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -116.35 132.6 56.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 72.44 111.058 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG11 ' HA ' ' A' ' 20' ' ' CYS . 19.4 m -124.91 163.27 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.881 -0.599 . . . . 70.51 110.535 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.8 t -84.01 -12.77 54.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 52.2 111.819 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.6 t -174.19 173.11 3.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.643 0.259 . . . . 75.52 110.889 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 t -62.44 -43.55 98.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.775 -0.648 . . . . 73.43 110.331 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 19' ' ' GLU . 14.9 pt-20 -60.49 -43.28 97.18 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.486 -0.561 . . . . 75.24 109.486 178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 12.3 tp10 -62.06 -35.14 77.74 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.329 -0.851 . . . . 72.43 109.729 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.48 ' HA ' HG11 ' A' ' 14' ' ' VAL . 17.7 t -63.99 -58.05 7.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.045 -0.98 . . . . 54.4 110.44 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.09 -36.8 75.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.517 -0.765 . . . . 74.3 110.496 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -59.72 -54.39 46.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.194 -0.457 . . . . 71.04 110.685 175.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.21 -46.46 90.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.323 -0.399 . . . . 73.24 110.997 -177.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.1 m -59.13 -44.34 92.04 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.098 -0.501 . . . . 74.34 110.713 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -75.94 -21.77 56.67 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.741 0.305 . . . . 73.31 110.9 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -68.2 -45.05 74.46 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 108.758 -0.83 . . . . 71.21 108.758 176.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.1 mt -70.15 -33.31 71.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.931 -0.577 . . . . 75.14 109.693 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.19 23.58 16.78 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.654 -0.703 . . . . 43.44 112.052 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -103.5 121.04 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.16 -0.311 . . . . 61.22 110.16 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -80.44 -28.4 37.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.959 0.409 . . . . 63.12 110.327 177.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.5 m-20 -72.92 74.15 1.15 Allowed 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.284 -0.635 . . . . 71.15 109.284 175.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -122.92 123.14 40.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.301 -0.863 . . . . 73.41 109.502 -176.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 12.5 tpp180 -113.82 143.07 45.26 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.088 -0.708 . . . . 72.11 109.088 -177.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.44 HG22 ' SG ' ' A' ' 20' ' ' CYS . 59.4 t -113.56 121.77 66.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.203 0.525 . . . . 74.32 111.728 -173.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 7.2 m-70 . . . . . 0 C--N 1.33 -0.275 0 N-CA-C 107.656 -1.239 . . . . 74.31 107.656 171.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--O 1.233 0.204 0 N-CA-C 109.481 -0.563 . . . . 73.23 109.481 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 12.9 pt-20 -113.84 166.12 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.826 0.346 . . . . 73.43 110.158 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -143.87 130.79 20.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.82 -0.807 . . . . 74.2 108.82 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.646 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 32.2 t70 -113.28 106.27 14.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.073 0.463 . . . . 74.0 110.426 -175.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.62 ' HB ' HG21 ' A' ' 29' ' ' VAL . 3.2 m -113.75 108.6 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.059 -0.973 . . . . 74.54 110.833 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 63.17 24.84 14.58 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.283 0.563 . . . . 73.41 111.199 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.88 -12.5 65.77 Favored Glycine 0 C--O 1.236 0.235 0 C-N-CA 121.014 -0.612 . . . . 41.35 111.846 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -84.87 127.95 34.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.917 -0.772 . . . . 61.22 108.917 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.4 m -113.21 111.31 21.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.158 0.504 . . . . 64.31 110.29 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -113.75 173.62 6.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.319 -0.855 . . . . 73.51 109.378 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -113.64 133.61 55.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.127 0.489 . . . . 73.43 110.951 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 20' ' ' CYS . 30.8 m -130.44 166.94 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.517 -0.765 . . . . 75.42 110.431 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.496 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 32.4 t -66.67 -40.57 88.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.638 0.256 . . . . 72.41 111.108 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -161.7 176.72 10.64 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.711 0.291 . . . . 73.51 110.487 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 p -56.45 -42.0 77.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 71.51 110.753 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 35.8 mt-10 -63.28 -37.86 88.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.908 -0.587 . . . . 71.14 110.407 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.496 ' HG2' ' H ' ' A' ' 15' ' ' SER . 6.1 tp10 -61.67 -40.51 95.22 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.805 -0.634 . . . . 74.24 109.417 175.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.466 ' HB2' HG21 ' A' ' 14' ' ' VAL . 29.4 t -61.65 -39.25 90.68 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.944 -0.571 . . . . 73.12 110.448 175.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 42.7 mt-10 -58.53 -48.98 79.05 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 110.006 -0.368 . . . . 61.44 110.006 176.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 96.2 mtt180 -57.19 -46.11 83.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.623 -0.717 . . . . 74.23 110.81 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.94 -46.92 87.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.052 -0.522 . . . . 74.44 109.983 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.6 t -56.47 -46.28 80.48 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.645 -0.707 . . . . 71.04 110.931 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 36.4 mmt180 -68.25 -47.7 67.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.738 -0.664 . . . . 62.4 110.564 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.14 -35.45 71.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.568 -0.742 . . . . 72.4 110.899 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.468 ' HB2' HG23 ' A' ' 29' ' ' VAL . 80.1 mt -90.9 -23.51 20.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 70.43 110.891 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.2 38.7 46.15 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.115 -0.564 . . . . 73.13 112.14 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.62 HG21 ' HB ' ' A' ' 7' ' ' VAL . 61.8 t -83.94 148.02 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.475 0.178 . . . . 73.12 110.897 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 p -80.35 -54.92 5.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.097 0.475 . . . . 73.31 110.756 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -98.94 105.59 17.75 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.888 -0.597 . . . . 73.23 110.817 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.646 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 4.5 p -131.51 118.55 20.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.551 -0.537 . . . . 73.21 109.551 174.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -123.45 168.58 12.37 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.653 -0.249 . . . . 72.51 110.359 -175.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -125.17 155.47 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.782 0.325 . . . . 73.22 111.289 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.511 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 38.7 t-80 . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 109.131 -0.692 . . . . 74.31 109.131 175.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' HIS . 61.0 m . . . . . 0 C--O 1.238 0.48 0 CA-C-O 120.849 0.356 . . . . 61.15 111.759 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -113.38 148.53 35.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.284 0.564 . . . . 74.34 112.081 -171.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -127.99 145.65 50.91 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.001 -1.0 . . . . 73.32 108.983 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 23.8 t70 -136.82 100.2 4.25 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.602 0.361 . . . . 74.54 110.485 -171.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.486 HG22 ' SG ' ' A' ' 24' ' ' CYS . 40.4 t -113.83 114.36 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.293 -0.412 . . . . 75.42 110.39 -175.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.486 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 92.3 m-20 60.56 21.62 11.41 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.136 -0.484 . . . . 62.25 111.315 -179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.18 -12.07 70.57 Favored Glycine 0 C--O 1.235 0.196 0 C-N-CA 121.041 -0.599 . . . . 40.24 112.042 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -81.92 155.64 25.18 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.285 -0.635 . . . . 74.43 109.285 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -113.28 125.62 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.34 0.59 . . . . 72.12 111.704 -170.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -124.29 152.28 43.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.181 -0.918 . . . . 75.5 108.686 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.7 139.07 49.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.723 0.297 . . . . 75.41 110.266 177.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' A' ' 20' ' ' CYS . 20.5 m -141.27 166.16 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.774 -0.648 . . . . 75.34 110.199 -176.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 t -90.49 -20.44 22.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.361 -0.381 . . . . 61.44 110.078 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.587 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 12.8 m -146.18 147.23 31.26 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 121.908 0.861 . . . . 72.4 112.108 -177.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.824 ' HA ' HG21 ' A' ' 34' ' ' VAL . 11.9 p -52.52 -53.27 48.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.64 -1.164 . . . . 75.12 110.175 175.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.46 -33.29 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.57 -0.741 . . . . 75.44 111.725 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HG3' ' HB2' ' A' ' 16' ' ' SER . 83.5 mt-10 -62.38 -52.29 64.2 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.518 -0.549 . . . . 73.51 109.518 175.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.48 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 4.7 t -53.65 -52.37 60.16 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.689 -0.687 . . . . 62.52 110.704 175.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 17' ' ' SER . 43.1 mt-10 -60.53 -38.06 83.22 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.916 -0.584 . . . . 71.1 111.092 -177.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.4 tpp180 -64.97 -45.29 86.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 71.24 110.14 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 64.7 tp -58.77 -50.95 72.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.847 -0.615 . . . . 60.55 109.827 177.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.486 ' SG ' HG22 ' A' ' 7' ' ' VAL . 62.2 m -60.46 -44.04 96.26 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.807 -0.633 . . . . 71.42 111.442 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -69.79 -31.17 68.94 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.703 -0.48 . . . . 74.11 109.703 -178.133 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -65.7 -52.07 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 63.15 109.924 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 81.4 mt -61.23 -32.18 71.97 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.807 -0.633 . . . . 61.24 110.078 177.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.46 36.49 8.71 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.542 -0.754 . . . . 63.11 111.822 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.04 123.92 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 122.246 0.219 . . . . 72.31 110.613 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 m -73.65 -38.31 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 65.04 110.977 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.486 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 78.2 m-20 -77.41 91.47 3.88 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.151 0.501 . . . . 71.43 110.388 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 32.5 t -152.61 132.57 13.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.54 -0.755 . . . . 60.1 109.209 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.525 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.1 mtp180 -134.21 162.39 32.27 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.665 -0.865 . . . . 74.02 108.665 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.824 HG21 ' HA ' ' A' ' 17' ' ' SER . 7.5 p -153.95 130.71 2.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.815 0.34 . . . . 74.51 110.636 -179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 61.5 t60 . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 108.103 -1.073 . . . . 71.32 108.103 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.318 0.58 . . . . 74.32 111.532 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.497 ' HG2' HG22 ' A' ' 13' ' ' THR . 39.8 mt-10 -113.74 156.93 22.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.014 -0.994 . . . . 73.51 108.376 176.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.0 m -139.46 145.87 39.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.67 0.271 . . . . 53.24 110.788 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.526 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 21.1 m-20 -112.84 107.11 15.59 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 123.141 0.577 . . . . 65.53 109.734 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 96.4 t -112.79 112.47 40.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 123.318 0.647 . . . . 63.41 109.588 -177.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 55.24 26.0 7.98 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.798 -0.637 . . . . 74.2 111.27 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.71 -15.98 56.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.23 -0.509 . . . . 74.42 113.138 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -91.13 149.22 21.89 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.623 -0.51 . . . . 70.12 109.623 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.1 m -113.45 118.67 35.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.175 0.512 . . . . 74.45 111.22 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -115.35 165.43 12.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.659 -0.701 . . . . 72.41 109.833 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.497 HG22 ' HG2' ' A' ' 4' ' ' GLU . 11.1 p -113.5 132.17 55.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.048 0.451 . . . . 74.21 109.994 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 20' ' ' CYS . 12.6 m -122.06 161.31 22.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.496 -0.775 . . . . 75.23 110.723 -175.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.2 t -64.87 -47.11 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 42.24 111.054 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.424 ' H ' ' HB3' ' A' ' 19' ' ' GLU . 16.6 m -153.66 174.26 14.72 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.858 0.361 . . . . 43.05 111.053 -176.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.5 p -56.37 -57.38 12.53 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.807 -0.633 . . . . 64.31 110.583 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -49.56 -44.71 46.91 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.531 -0.759 . . . . 70.22 110.598 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' A' ' 16' ' ' SER . 9.9 tp10 -58.87 -42.28 89.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.623 -0.717 . . . . 73.51 110.524 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.531 ' HB2' HG21 ' A' ' 14' ' ' VAL . 34.6 t -57.9 -54.61 44.99 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.097 -0.501 . . . . 73.15 110.42 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -55.93 -43.11 77.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.468 -0.787 . . . . 74.42 110.604 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.521 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 46.9 mtp180 -64.55 -42.76 95.51 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 116.262 -0.426 . . . . 73.42 111.251 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.63 -52.28 66.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.091 0.472 . . . . 73.22 110.054 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.0 m -66.98 -38.22 85.66 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.775 -0.648 . . . . 75.23 111.386 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -68.27 -34.21 75.78 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.053 0.454 . . . . 72.45 109.809 179.786 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -69.88 -45.22 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.714 -0.676 . . . . 51.04 109.998 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.54 -21.3 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.599 . . . . 72.11 110.131 176.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.3 23.45 65.59 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.883 -0.599 . . . . 63.24 111.963 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.0 t -99.14 116.44 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 71.43 110.304 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.6 m -75.04 -31.38 61.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.758 -0.655 . . . . 73.41 110.555 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 79.4 m-20 -73.55 85.73 1.57 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.404 -0.591 . . . . 74.45 109.404 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 23.8 t -149.38 111.83 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.895 -0.593 . . . . 75.52 109.929 -175.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 29.7 mmm180 -113.67 165.05 12.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.44 -0.578 . . . . 65.05 109.44 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' SG ' ' A' ' 20' ' ' CYS . 53.6 t -126.63 146.95 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.647 0.26 . . . . 60.23 110.817 -176.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 . . . . . 0 C--N 1.33 -0.24 0 C-N-CA 122.881 0.472 . . . . 72.5 109.927 176.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 CA--C 1.529 0.141 0 N-CA-C 108.399 -0.963 . . . . 62.11 108.399 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -113.26 171.51 7.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.136 0.494 . . . . 73.12 110.488 -175.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.428 ' SG ' HG21 ' A' ' 14' ' ' VAL . 67.9 m -145.45 171.38 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.886 -0.597 . . . . 54.2 110.62 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -134.31 145.67 49.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.577 -0.738 . . . . 65.03 109.514 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.773 HG13 HG11 ' A' ' 29' ' ' VAL . 78.1 t -141.85 99.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.605 -0.887 . . . . 63.24 108.605 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 65.15 -1.87 0.83 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.125 0.417 . . . . 72.4 112.125 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.48 -17.11 4.78 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.001 -0.618 . . . . 60.21 113.117 -176.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.66 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 14.6 pt-20 -92.98 157.7 16.18 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 117.249 0.524 . . . . 72.13 110.074 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -113.54 144.45 42.84 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.871 0.367 . . . . 55.3 111.651 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -137.82 167.45 21.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.921 -0.582 . . . . 54.35 109.681 175.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 p -114.39 134.24 55.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.578 -0.283 . . . . 54.53 110.658 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 ' SG ' ' A' ' 5' ' ' CYS . 31.4 m -133.08 173.27 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 71.52 110.601 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.652 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 29.8 t -86.95 -37.42 17.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 64.33 110.223 176.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 p -157.51 174.68 15.01 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.271 -0.422 . . . . 75.53 111.16 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -64.3 -29.15 70.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.075 -0.713 . . . . 63.32 109.075 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.02 -57.28 13.52 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.348 -0.842 . . . . 75.2 109.855 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.652 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 29.0 mm-40 -58.95 -37.49 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.23 -0.896 . . . . 63.12 110.369 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.12 -55.69 30.76 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.547 -0.752 . . . . 31.51 110.372 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 57.1 mm-40 -57.08 -51.09 70.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.796 -0.638 . . . . 71.21 110.21 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -50.54 -54.16 24.67 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.849 -0.614 . . . . 72.52 110.914 -177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.9 tp -58.99 -50.1 75.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.859 -0.61 . . . . 62.44 110.591 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.602 ' SG ' ' HB ' ' A' ' 29' ' ' VAL . 53.9 t -57.85 -49.54 76.32 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.833 -0.622 . . . . 51.42 111.438 -176.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 14.6 mmt180 -69.09 -35.27 76.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 74.54 110.431 -176.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -62.97 -44.5 95.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.837 0.351 . . . . 74.12 110.208 175.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 79.9 mt -70.69 -25.17 62.85 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.064 -0.517 . . . . 73.15 110.379 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.36 34.57 19.79 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.694 -0.685 . . . . 63.33 112.034 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.773 HG11 HG13 ' A' ' 7' ' ' VAL . 62.1 t -82.53 139.18 18.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.595 0.236 . . . . 73.23 110.559 -179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -81.07 -54.89 5.15 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.335 -0.393 . . . . 63.33 111.131 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -113.02 98.68 7.31 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.325 0.583 . . . . 75.11 111.199 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.3 p -135.89 137.8 41.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.459 -0.941 . . . . 70.24 108.459 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.875 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -127.78 177.66 6.67 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.599 0.238 . . . . 62.45 111.0 -176.515 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.2 p -125.88 139.95 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.956 0.408 . . . . 74.22 111.064 -176.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 108.298 -1.001 . . . . 54.11 108.298 173.562 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.112 -0.329 . . . . 73.41 110.112 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 34.4 Cg_endo -63.49 176.57 2.1 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.282 1.988 . . . . 62.41 111.636 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 17.5 t -93.28 149.32 21.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.818 -0.438 . . . . 73.53 109.818 -177.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -114.04 144.62 42.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.971 0.415 . . . . 74.24 110.373 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.6 t -130.24 129.02 42.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.28 -0.637 . . . . 72.11 109.28 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 29.1 t70 -113.48 103.76 11.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.176 0.512 . . . . 72.02 110.213 -175.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.642 HG22 ' SG ' ' A' ' 24' ' ' CYS . 9.6 t -113.18 124.2 69.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.88 -0.6 . . . . 53.22 109.762 -174.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t30 68.99 2.17 3.47 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.123 -0.49 . . . . 64.22 111.301 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.85 -10.4 32.16 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 111.86 -0.496 . . . . 62.44 111.86 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -95.13 149.9 20.79 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.788 -0.449 . . . . 72.42 109.788 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.3 m -113.21 128.04 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.343 0.592 . . . . 72.34 110.997 -172.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -125.59 168.2 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.154 -0.93 . . . . 61.1 109.287 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.3 p -113.72 139.0 49.45 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.251 -0.278 . . . . 64.4 110.251 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 20' ' ' CYS . 28.6 m -137.95 154.58 28.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.498 . . . . 62.3 110.082 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -66.87 -39.8 87.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.283 -0.417 . . . . 72.24 110.902 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.693 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 37.4 m -140.02 157.11 46.17 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.015 0.436 . . . . 75.25 111.471 -175.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 15.7 m -61.28 -34.79 75.77 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.974 -0.557 . . . . 71.15 110.442 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 2.3 pm0 -68.78 -31.77 71.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.687 -0.688 . . . . 52.01 110.162 177.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.693 ' HG2' ' HB2' ' A' ' 16' ' ' SER . 20.1 mm-40 -67.72 -38.75 84.02 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.504 -0.554 . . . . 70.52 109.504 175.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HB2' HG21 ' A' ' 14' ' ' VAL . 2.9 t -55.46 -56.96 14.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.919 -0.582 . . . . 74.41 110.041 171.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -48.39 -53.66 16.87 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.692 -0.686 . . . . 73.21 110.932 178.316 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -59.7 -41.81 91.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.077 -0.511 . . . . 74.41 111.188 -178.434 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.1 tp -58.15 -48.39 80.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.158 0.504 . . . . 71.52 110.241 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.642 ' SG ' HG22 ' A' ' 7' ' ' VAL . 60.6 m -61.59 -36.4 80.58 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.571 -0.741 . . . . 72.12 110.867 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 15.3 mmt180 -67.1 -37.82 84.58 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.511 176.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.718 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.93 -39.31 87.31 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.546 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.0 -25.94 59.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.773 -0.648 . . . . 60.3 110.062 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.28 41.0 27.28 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.764 -0.653 . . . . 61.12 111.754 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.43 128.96 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 110.14 -0.319 . . . . 70.14 110.14 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.7 p -77.11 -33.65 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 71.21 110.844 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -66.65 97.08 0.42 Allowed 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.235 -0.654 . . . . 72.02 109.235 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.2 t -155.12 128.08 8.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.807 -0.633 . . . . 73.45 109.625 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.53 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 39.5 mtp180 -128.9 164.29 23.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.033 -0.728 . . . . 70.14 109.033 -177.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.15 142.11 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.177 0.513 . . . . 51.54 111.702 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -158.94 136.22 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.338 -0.986 . . . . 63.32 108.338 174.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 30.3 m -113.33 118.27 34.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.156 -0.313 . . . . 74.33 110.156 -173.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.878 -0.957 . . . . 55.21 112.797 -174.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.753 -0.462 . . . . 71.14 109.753 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.02 163.16 36.87 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.356 2.037 . . . . 71.32 111.467 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -132.21 174.65 10.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.19 -0.459 . . . . 65.32 109.931 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 14.4 pt-20 -113.55 160.26 18.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.675 -0.491 . . . . 75.12 109.675 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -137.76 135.03 35.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.296 -0.411 . . . . 63.43 109.991 -174.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.587 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 3.7 m-20 -113.87 132.73 55.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.219 -0.659 . . . . 65.24 109.219 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.672 HG22 ' SG ' ' A' ' 24' ' ' CYS . 20.6 t -134.18 104.48 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 123.581 0.753 . . . . 75.42 109.356 -173.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 68.93 -68.77 0.17 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.566 0.746 . . . . 72.33 109.394 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.67 12.59 0.22 Allowed Glycine 0 CA--C 1.519 0.288 0 CA-C-N 115.234 -0.893 . . . . 71.03 112.254 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -109.85 144.24 38.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.333 -0.617 . . . . 62.34 109.333 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.2 m -113.9 133.59 55.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 64.32 111.174 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -136.85 175.7 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.637 -0.71 . . . . 74.31 109.909 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 p -113.81 140.58 48.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.257 -0.429 . . . . 65.01 110.251 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 20' ' ' CYS . 31.5 m -139.11 167.17 20.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.097 -0.501 . . . . 61.44 109.949 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.411 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 15.2 m -64.51 -45.78 85.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.767 0.317 . . . . 73.31 110.412 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -165.7 -173.78 2.85 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.649 0.737 . . . . 73.22 111.344 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.674 ' HA ' HG21 ' A' ' 34' ' ' VAL . 24.4 t -52.57 -49.37 65.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.593 -1.185 . . . . 73.43 111.176 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -57.33 -40.05 77.16 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.84 0.352 . . . . 73.42 110.756 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 15' ' ' SER . 5.9 mp0 -64.67 -48.64 74.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.142 -0.481 . . . . 75.2 110.418 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HB2' HG21 ' A' ' 14' ' ' VAL . 43.9 t -55.62 -52.03 65.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.015 0.436 . . . . 73.33 110.437 178.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -52.38 -52.05 55.69 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.707 -0.678 . . . . 75.25 110.71 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.26 -44.79 88.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.967 -0.56 . . . . 74.14 110.179 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.37 -57.29 13.41 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.36 -0.382 . . . . 74.03 110.766 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.672 ' SG ' HG22 ' A' ' 7' ' ' VAL . 68.8 m -59.42 -43.17 93.11 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.142 -177.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 25' ' ' ARG . 51.1 mtt180 -71.64 -26.93 62.75 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.244 -0.435 . . . . 71.2 110.992 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.53 -39.62 73.95 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.514 -0.551 . . . . 73.21 109.514 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.4 -25.23 61.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.542 -0.754 . . . . 74.34 109.987 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.16 13.82 61.41 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.75 -0.659 . . . . 63.21 111.885 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.12 118.82 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.948 -0.39 . . . . 61.2 109.948 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -78.38 -35.56 47.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 45.02 110.191 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -69.03 98.96 1.02 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.32 -0.622 . . . . 51.41 109.32 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 38.2 t -160.55 139.82 10.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.997 -0.372 . . . . 73.21 109.997 -175.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -143.76 137.27 27.96 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.199 0.199 . . . . 75.42 110.654 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 17' ' ' SER . 4.4 p -113.58 118.62 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.21 0.528 . . . . 73.13 110.321 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 53.4 t-80 -113.92 143.23 45.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 71.3 109.786 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 t -140.15 107.09 5.41 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.515 -0.55 . . . . 75.44 109.515 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.945 -0.92 . . . . 61.4 112.183 -177.059 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.007 -0.368 . . . . 63.45 110.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -79.39 146.67 19.69 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.312 2.008 . . . . 74.45 111.975 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.8 m -131.76 168.43 17.8 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.52 -0.764 . . . . 43.24 109.903 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 35' ' ' HIS . 4.9 mp0 -112.77 129.21 56.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.382 -0.599 . . . . 75.24 109.382 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.2 t -117.52 130.53 56.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.584 -0.735 . . . . 61.11 109.096 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.672 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 1.7 m-20 -112.96 111.25 21.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.543 -0.54 . . . . 71.25 109.543 -176.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' A' ' 9' ' ' GLY . 40.0 t -113.33 110.15 31.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 123.719 0.637 . . . . 73.43 109.824 -174.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t30 69.83 -22.14 0.16 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.504 0.722 . . . . 74.01 112.365 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . 151.43 -17.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.282 -0.727 . . . . 44.15 111.282 -176.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.58 148.27 24.17 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.943 -0.392 . . . . 74.45 109.943 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.5 m -113.65 119.1 36.29 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.095 0.474 . . . . 74.0 110.792 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.55 168.48 9.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.616 -0.72 . . . . 71.03 110.091 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 p -113.93 132.03 56.09 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.542 -0.54 . . . . 75.34 109.542 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -129.41 166.39 27.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.991 -0.55 . . . . 53.13 110.384 -175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.673 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 15.3 t -79.1 -28.07 42.99 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.375 -0.375 . . . . 70.0 111.231 -176.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.438 ' H ' ' HB2' ' A' ' 19' ' ' GLU . 49.4 m -163.89 171.67 15.05 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.695 0.284 . . . . 73.22 110.831 -175.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 p -61.25 -47.88 83.99 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.791 0.329 . . . . 55.42 110.326 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 1.7 pm0 -55.46 -32.85 63.12 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.931 -0.577 . . . . 71.12 110.789 174.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.673 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 11.7 mm-40 -71.3 -35.3 71.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.52 -0.309 . . . . 73.2 110.386 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' A' ' 34' ' ' VAL . 17.8 t -59.81 -58.55 8.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.41 -0.359 . . . . 71.32 110.666 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 15.2 pt-20 -59.55 -40.3 86.79 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.319 0.581 . . . . 74.2 110.172 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 68.9 ttt180 -54.37 -48.01 72.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.962 -1.017 . . . . 73.44 110.457 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.55 -45.18 92.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.734 -0.666 . . . . 73.43 109.439 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.5 m -59.66 -36.48 76.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.783 -0.644 . . . . 63.32 110.975 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HA ' HH11 ' A' ' 25' ' ' ARG . 11.2 mmm180 -72.66 -30.95 64.71 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.582 -0.281 . . . . 74.31 110.503 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -69.27 -43.82 73.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 72.4 110.184 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.8 mt -75.38 -34.22 61.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.316 -0.402 . . . . 74.13 110.936 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.21 42.57 4.9 Favored Glycine 0 CA--C 1.517 0.218 0 CA-C-N 116.104 -0.498 . . . . 52.21 112.137 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -124.06 143.02 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 110.029 -0.36 . . . . 64.22 110.029 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.6 m -96.22 -31.73 12.8 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.967 0.413 . . . . 65.54 111.247 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -77.62 104.56 8.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 63.11 110.881 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.672 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 64.4 m -147.49 159.24 43.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 61.22 110.273 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HB3' ' HB2' ' A' ' 6' ' ' ASP . 5.9 tpp180 -144.76 148.54 34.22 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.31 -0.626 . . . . 64.23 109.31 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.443 HG12 ' SG ' ' A' ' 20' ' ' CYS . 23.7 m -113.49 148.14 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 73.34 111.154 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 33.2 m-70 -139.94 127.54 21.65 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.864 -0.791 . . . . 74.32 108.864 176.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 70.7 m -135.62 99.42 4.19 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.698 -0.482 . . . . 44.32 109.698 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.722 -1.043 . . . . 34.42 111.342 -175.033 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.185 -0.302 . . . . 65.52 110.185 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -80.27 49.1 3.09 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.794 2.33 . . . . 71.32 112.3 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.82 150.95 40.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.168 -0.469 . . . . 72.44 109.832 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -113.81 136.51 52.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.516 0.674 . . . . 73.02 112.394 -168.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.7 t -114.01 139.16 49.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.865 -1.061 . . . . 53.5 108.85 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 11.9 t70 -114.9 143.21 45.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.586 -0.524 . . . . 74.12 109.586 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -135.74 99.75 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.362 -0.607 . . . . 72.15 109.362 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 62.99 3.76 1.33 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 122.889 0.476 . . . . 73.04 111.578 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.11 -28.47 3.49 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.167 -0.539 . . . . 33.22 112.46 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -75.05 143.96 43.24 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.807 -0.442 . . . . 72.42 109.807 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.2 m -113.53 133.26 55.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 73.22 110.991 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -129.68 173.82 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.402 -0.817 . . . . 75.44 109.004 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -113.34 135.05 54.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.043 0.449 . . . . 73.2 110.569 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 22.7 m -140.97 153.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.562 -0.745 . . . . 71.14 109.552 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.0 t -63.74 -30.46 71.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.755 -0.202 . . . . 73.45 110.879 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -169.38 176.64 5.03 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.361 0.601 . . . . 74.04 111.15 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -62.08 -33.58 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.433 -0.803 . . . . 64.44 111.243 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.41 -45.24 88.8 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.468 -0.567 . . . . 52.2 109.468 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.546 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . 12.8 tp10 -65.23 -40.0 93.49 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.115 -0.948 . . . . 63.44 109.563 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.607 ' SG ' HG12 ' A' ' 34' ' ' VAL . 41.3 t -58.17 -54.07 51.13 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.948 -0.569 . . . . 73.12 110.945 176.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.649 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 32.6 mt-10 -61.36 -33.9 74.4 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.486 -0.324 . . . . 74.12 111.034 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 65.3 ttt180 -58.98 -46.41 88.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.73 -0.668 . . . . 60.42 109.638 175.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 tp -62.2 -46.14 90.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.703 -0.68 . . . . 74.14 110.629 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -53.06 -56.03 19.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.121 0.486 . . . . 71.01 110.968 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.649 ' NH1' ' HB3' ' A' ' 21' ' ' GLU . 80.7 mtt85 -68.29 -32.27 72.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.539 -0.755 . . . . 73.1 111.049 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.31 -45.26 92.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 72.43 110.389 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.46 -26.93 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 72.22 110.345 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.37 14.04 54.54 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.733 -0.667 . . . . 64.53 112.078 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.05 132.89 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.308 . . . . 74.43 110.474 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.5 p -94.34 -39.23 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 74.43 110.287 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -72.81 87.12 1.27 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.916 -0.584 . . . . 72.43 110.776 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 29.4 p -152.11 147.3 26.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.227 -0.897 . . . . 64.44 108.972 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 50.7 mtp180 -121.7 147.84 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 63.33 110.918 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.607 HG12 ' SG ' ' A' ' 20' ' ' CYS . 35.7 m -113.83 134.69 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 74.23 110.83 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -150.06 114.95 5.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 63.23 109.541 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.7 t -135.62 99.75 4.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.573 -0.74 . . . . 64.22 110.277 -172.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.623 -1.098 . . . . 75.12 111.397 -178.733 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.949 -0.389 . . . . 62.23 109.949 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.34 154.54 65.37 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.22 1.946 . . . . 72.21 111.607 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 16' ' ' SER . 61.2 m -112.02 162.55 15.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.45 0.643 . . . . 72.43 111.352 -178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -113.8 142.89 45.51 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.661 -1.237 . . . . 75.34 107.661 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.4 m -138.52 146.11 41.55 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.987 0.422 . . . . 74.11 111.242 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 17.1 t70 -113.45 139.02 49.27 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.121 -1.066 . . . . 74.43 108.121 174.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 9' ' ' GLY . 61.0 t -140.29 104.3 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.05 -0.722 . . . . 74.13 109.05 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 69.56 -27.62 0.16 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.574 0.546 . . . . 73.32 112.417 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . 155.57 -15.2 0.46 Allowed Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.419 -0.672 . . . . 73.31 111.419 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -91.5 147.42 23.03 Favored 'General case' 0 CA--C 1.528 0.135 0 N-CA-C 109.525 -0.546 . . . . 72.23 109.525 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.7 m -113.74 137.25 51.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 55.23 110.498 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -133.24 162.07 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 75.5 109.403 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.4 p -113.85 131.2 56.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.652 -0.499 . . . . 75.33 109.652 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -131.39 179.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 74.42 110.301 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t -64.03 -76.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 65.43 110.454 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.419 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 6.8 m -141.89 -174.5 4.1 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.132 -0.486 . . . . 71.11 110.288 -176.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 m -51.32 -37.33 47.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.344 -0.389 . . . . 73.12 110.955 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -52.79 -62.69 1.49 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.577 -0.738 . . . . 74.52 109.942 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.26 -33.95 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.977 -1.011 . . . . 75.31 110.409 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.644 ' SG ' HG22 ' A' ' 34' ' ' VAL . 6.8 t -61.94 -60.4 3.68 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.653 -0.703 . . . . 51.01 110.784 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.0 -39.76 86.88 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.33 0.586 . . . . 64.22 110.388 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -55.64 -42.98 75.76 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.211 -0.904 . . . . 75.31 110.872 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 7' ' ' VAL . 7.3 tt -63.62 -44.03 95.13 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.537 -0.542 . . . . 62.13 109.537 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.2 m -54.18 -53.21 56.48 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.358 0.599 . . . . 73.33 110.16 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -73.64 -17.57 61.14 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.31 -0.859 . . . . 74.55 111.098 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -73.74 -45.87 49.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.198 -0.455 . . . . 71.33 109.832 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.7 mt -78.7 -21.05 48.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.959 -0.564 . . . . 74.42 110.116 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.91 11.53 61.55 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.69 -0.686 . . . . 75.43 111.992 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 t -104.94 113.43 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.96 -0.385 . . . . 75.24 109.96 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.0 m -76.6 -23.56 53.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.222 0.534 . . . . 72.14 110.36 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -69.2 91.1 0.5 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.753 -0.658 . . . . 74.45 109.941 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.9 p -155.07 160.31 40.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.284 -0.417 . . . . 74.51 110.64 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 23.9 mmt180 -132.15 151.23 51.9 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.89 0.476 . . . . 72.01 110.318 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.644 HG22 ' SG ' ' A' ' 20' ' ' CYS . 45.4 t -113.74 130.44 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 64.13 110.008 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -136.68 100.05 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.172 -0.677 . . . . 70.11 109.172 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.4 m -113.24 135.23 54.06 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.194 -0.299 . . . . 74.0 110.194 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.981 -0.899 . . . . 61.34 111.013 -177.362 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.721 0.296 . . . . 60.33 110.625 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -90.89 -174.79 0.72 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.975 2.45 . . . . 55.11 111.963 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.9 t -138.85 153.96 48.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.926 0.393 . . . . 53.45 110.176 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -113.71 136.05 53.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.013 -0.54 . . . . 74.42 110.027 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.57 118.81 26.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.784 -1.191 . . . . 65.14 107.784 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 7.3 m-20 -112.88 108.99 18.15 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.253 0.549 . . . . 71.21 110.39 -170.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.6 t -115.07 123.06 70.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.348 -0.842 . . . . 71.04 110.191 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 t30 64.46 -0.29 0.95 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.062 0.545 . . . . 53.14 111.877 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.91 -24.37 7.93 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.634 -0.587 . . . . 64.32 111.634 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -83.53 156.65 22.7 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.982 -0.377 . . . . 72.41 109.982 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.5 m -113.59 124.4 52.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.256 0.551 . . . . 60.45 111.374 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -121.88 144.18 49.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.401 -1.333 . . . . 71.31 107.401 172.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -113.49 137.94 50.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.394 0.616 . . . . 30.24 111.806 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -133.12 179.79 4.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 114.886 -1.052 . . . . 62.42 109.288 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB3' ' OE1' ' A' ' 19' ' ' GLU . 12.2 t -92.69 -50.73 5.44 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 121.1 -0.24 . . . . 72.35 110.813 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.435 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 8.1 m -111.02 146.67 36.29 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.021 0.438 . . . . 73.12 112.003 -174.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.492 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 44.3 t -56.98 -35.82 69.61 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.79 -0.641 . . . . 74.34 109.427 174.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.33 -48.85 73.56 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.366 -0.834 . . . . 65.43 108.951 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.435 ' HG3' ' HB2' ' A' ' 16' ' ' SER . 50.2 mt-10 -66.19 -36.96 84.46 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.384 -0.825 . . . . 64.42 111.787 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.9 t -59.67 -63.48 1.28 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.796 0.332 . . . . 73.52 110.698 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 6.5 mm-40 -53.27 -45.42 68.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.106 -0.497 . . . . 54.25 110.443 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -54.47 -48.57 71.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.369 -0.832 . . . . 64.22 110.688 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 63.6 tp -59.98 -55.44 34.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.275 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.3 m -59.9 -37.25 78.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.029 -0.532 . . . . 73.24 111.679 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 25.5 mmt-85 -77.9 -25.14 48.29 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.71 0.291 . . . . 60.52 110.356 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -78.42 -24.64 46.08 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.494 -0.558 . . . . 75.21 109.494 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 90.9 mt -79.91 -33.96 39.42 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.075 -0.713 . . . . 62.35 109.075 171.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.29 25.4 26.36 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.104 -0.953 . . . . 74.21 112.099 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.79 136.11 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.159 -0.311 . . . . 63.01 110.159 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.5 m -91.48 -33.82 15.05 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.375 -0.375 . . . . 73.1 111.838 -175.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -80.33 48.04 0.98 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.299 0.571 . . . . 73.52 111.53 -175.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 11.6 t -113.8 143.69 44.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 52.42 109.779 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -131.87 146.53 52.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.715 -0.476 . . . . 75.42 109.715 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.74 138.62 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 62.52 111.027 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -144.97 99.82 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 75.3 109.764 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' SG ' ' HB2' ' A' ' 17' ' ' SER . 58.6 m -113.06 99.96 8.25 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.276 -0.639 . . . . 73.42 109.276 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.55 -1.139 . . . . 60.2 111.339 -175.908 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.267 -0.271 . . . . 75.11 110.267 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -82.93 -178.81 4.05 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.58 2.187 . . . . 73.33 112.042 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.2 m -130.48 179.61 5.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.427 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.36 159.7 19.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.64 . . . . 53.4 109.554 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.9 t -142.29 139.3 31.83 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.699 -0.682 . . . . 73.12 109.211 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.445 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 9.8 t70 -113.65 135.8 53.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.357 -0.979 . . . . 72.33 108.357 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.442 HG22 ' SG ' ' A' ' 24' ' ' CYS . 44.1 t -139.82 103.07 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.073 -0.714 . . . . 74.54 109.073 -174.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 61.5 11.83 4.05 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.245 0.545 . . . . 75.3 111.084 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.07 -29.09 5.66 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.182 -0.533 . . . . 60.24 112.503 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -81.47 143.96 31.71 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.008 -0.367 . . . . 64.11 110.008 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.7 m -114.17 117.68 31.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.924 0.392 . . . . 52.33 111.158 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -113.75 168.13 10.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.511 . . . . 75.41 109.744 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.0 p -113.48 131.84 55.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.044 0.449 . . . . 72.23 110.215 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 20' ' ' CYS . 26.7 m -125.19 163.55 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 74.32 111.193 -172.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.0 t -62.0 -30.17 70.77 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.924 -0.58 . . . . 74.32 111.771 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.42 ' H ' ' HB3' ' A' ' 19' ' ' GLU . 45.9 p -167.36 170.04 11.82 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.485 0.66 . . . . 54.13 111.811 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 m -55.8 -43.52 76.93 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.088 -0.96 . . . . 62.01 110.424 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 14.4 pt-20 -66.49 -38.03 86.37 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 109.73 -0.47 . . . . 71.33 109.73 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HB3' ' H ' ' A' ' 16' ' ' SER . 9.5 tp10 -64.37 -31.42 72.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.083 -0.508 . . . . 65.11 110.357 -177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.587 ' SG ' HG22 ' A' ' 34' ' ' VAL . 11.8 t -55.6 -67.1 0.31 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.903 0.382 . . . . 73.31 111.19 174.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -59.77 -39.27 84.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.045 0.45 . . . . 64.02 110.304 -179.031 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -55.71 -41.87 74.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.321 -0.854 . . . . 74.31 110.801 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.4 tp -66.09 -47.96 72.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.094 -0.503 . . . . 74.42 109.835 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 96.5 m -57.14 -38.4 73.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.627 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -67.44 -33.77 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.058 0.456 . . . . 72.11 110.138 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -33.22 75.14 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.854 -0.612 . . . . 75.45 109.678 175.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.06 -27.64 35.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.741 -0.663 . . . . 73.14 110.804 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.99 15.23 49.53 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 116.143 -0.48 . . . . 63.21 112.037 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 57.9 t -110.54 139.23 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.727 0.298 . . . . 75.5 110.297 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 p -108.45 -16.65 14.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.397 -0.365 . . . . 71.32 111.096 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -77.94 79.93 4.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.405 0.621 . . . . 61.12 110.106 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 86.0 m -138.76 -179.92 6.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.948 -1.024 . . . . 72.31 110.211 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 55.2 ttt180 -152.72 151.9 31.06 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.319 -0.623 . . . . 73.5 109.319 175.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.587 HG22 ' SG ' ' A' ' 20' ' ' CYS . 49.0 t -113.19 140.58 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.992 -0.373 . . . . 73.24 109.992 -177.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -144.51 110.72 5.5 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.78 0.324 . . . . 62.22 111.007 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 70.6 m -115.03 103.36 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.929 -0.767 . . . . 75.21 108.929 172.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.669 -1.073 . . . . 74.31 112.133 -177.79 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 110.296 -0.261 . . . . 62.44 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.91 156.12 43.37 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.489 2.126 . . . . 62.03 111.692 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.2 m -115.94 154.47 29.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.284 0.564 . . . . 62.13 110.72 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.86 165.46 12.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.725 -0.67 . . . . 73.04 110.124 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.6 t -141.05 135.52 31.12 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.243 -0.651 . . . . 74.03 109.243 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -113.7 135.45 53.93 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.117 -0.697 . . . . 72.11 109.117 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 43.6 t -139.29 104.5 2.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.193 -0.669 . . . . 64.03 109.193 -173.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 7.6 t30 69.1 2.81 3.77 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.152 0.501 . . . . 51.42 110.989 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.15 -15.44 18.37 Favored Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.679 -0.569 . . . . 42.4 111.679 -175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -80.07 137.65 36.82 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.991 -0.744 . . . . 75.44 108.991 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.5 m -113.75 116.75 29.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.292 0.567 . . . . 74.24 111.318 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -113.86 173.38 6.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.214 -0.903 . . . . 72.15 109.72 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p -113.96 140.25 48.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.796 0.332 . . . . 74.42 110.557 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 20' ' ' CYS . 28.7 m -142.73 155.94 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.155 -0.475 . . . . 63.01 110.08 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -84.82 -13.22 51.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.747 -0.206 . . . . 71.23 111.145 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.5 p -156.57 156.68 34.0 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.496 0.665 . . . . 75.41 111.888 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 p -60.64 -30.6 69.98 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.457 -0.792 . . . . 65.25 109.543 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.89 -45.9 91.02 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.385 -0.825 . . . . 73.33 109.443 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.1 -39.6 94.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.285 -0.871 . . . . 44.53 110.868 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.406 ' HB2' HG21 ' A' ' 14' ' ' VAL . 51.2 t -56.47 -56.42 21.4 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 120.925 0.393 . . . . 73.32 110.57 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -56.96 -45.47 82.82 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.067 -0.515 . . . . 61.04 110.339 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -53.16 -46.19 68.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.424 -0.807 . . . . 71.24 110.608 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.8 tp -64.8 -58.54 5.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.399 -0.364 . . . . 71.32 110.412 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.0 t -53.8 -52.88 58.87 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.433 0.635 . . . . 60.33 111.34 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -69.53 -34.32 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.533 -0.758 . . . . 64.24 111.628 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -65.85 -48.45 71.55 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.764 -0.458 . . . . 75.44 109.764 176.549 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.97 -31.41 71.76 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.917 -0.583 . . . . 75.53 110.221 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.13 34.39 7.62 Favored Glycine 0 CA--C 1.508 -0.389 0 N-CA-C 110.816 -0.913 . . . . 75.21 110.816 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 30' ' ' THR . 44.4 t -106.72 154.18 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.949 -0.626 . . . . 71.14 110.021 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.412 ' O ' HG12 ' A' ' 29' ' ' VAL . 13.5 t -118.8 177.81 4.71 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.071 -0.714 . . . . 70.03 109.071 172.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 t30 64.47 47.59 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.676 0.751 . . . . 55.35 109.419 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 p -113.86 149.43 35.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.598 -0.728 . . . . 73.14 110.11 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -143.25 156.37 44.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 53.04 109.689 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.59 138.55 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.692 0.282 . . . . 62.33 110.523 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -137.53 119.33 15.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.408 . . . . 65.43 110.366 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t -141.05 99.6 3.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.501 -0.926 . . . . 73.43 108.501 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.897 -0.946 . . . . 23.21 111.113 -171.075 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.356 -0.239 . . . . 71.23 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -87.03 -162.86 0.15 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.929 2.42 . . . . 72.42 111.979 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 33.6 t -118.01 164.02 15.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.247 -0.433 . . . . 64.24 109.847 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 12.2 pt-20 -132.13 163.42 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 74.4 110.583 -177.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.4 t -150.31 130.95 13.98 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.02 -0.733 . . . . 75.04 109.02 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.67 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 11.3 t70 -113.03 101.2 9.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.081 -0.711 . . . . 64.31 109.081 -178.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.582 HG23 ' SG ' ' A' ' 32' ' ' CYS . 7.6 p -113.39 132.21 62.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 114.971 -1.013 . . . . 70.25 109.922 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.7 t30 66.22 4.39 3.13 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.974 -0.557 . . . . 64.01 111.156 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.45 -11.29 33.26 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.214 -0.517 . . . . 73.44 112.548 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' ASP . 54.3 mt-10 -101.93 148.58 25.16 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.988 -0.375 . . . . 73.51 109.988 178.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 30.8 m -113.01 117.26 31.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.367 0.603 . . . . 53.5 111.174 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -113.81 177.59 4.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.097 -0.956 . . . . 73.35 109.181 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 41.3 p -113.77 134.13 54.95 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.944 -0.391 . . . . 65.44 109.944 177.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.74 158.54 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 70.33 110.884 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.2 p -65.38 -43.86 89.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.833 -0.621 . . . . 74.11 111.004 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -152.42 169.14 23.3 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.422 0.63 . . . . 53.12 111.616 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 t -58.83 -40.64 84.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.503 -0.771 . . . . 42.41 110.12 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.62 -31.14 72.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.776 -0.647 . . . . 73.31 110.546 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -70.41 -37.79 74.52 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.476 -0.564 . . . . 73.35 109.476 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -57.39 -60.48 3.58 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.873 -0.603 . . . . 53.34 110.833 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.3 -40.34 85.85 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.877 0.37 . . . . 73.34 110.95 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -54.12 -49.95 68.0 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.82 -0.627 . . . . 72.43 110.401 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.28 -43.54 96.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 75.22 110.395 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.1 m -56.8 -56.78 17.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 54.34 110.86 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.85 -31.9 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 73.1 110.439 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -67.66 -48.22 67.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 75.32 110.51 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -76.0 -14.31 60.23 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.084 -0.507 . . . . 73.24 110.844 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 29.17 35.12 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 116.062 -0.517 . . . . 74.22 112.106 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.39 139.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.751 -0.462 . . . . 64.23 109.751 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 44.9 p -97.43 -28.39 14.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.751 0.31 . . . . 62.44 111.577 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -105.7 118.87 37.68 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.06 0.457 . . . . 72.5 111.276 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.67 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 61.5 m -142.06 164.83 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.13 -0.941 . . . . 74.13 109.131 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 10.5 ttm180 -131.67 127.48 37.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.733 -0.469 . . . . 72.12 109.733 175.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.83 133.61 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.957 0.408 . . . . 73.13 111.365 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 27.1 t-80 -149.48 124.41 9.96 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.761 -0.654 . . . . 75.3 109.534 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.1 m -113.62 136.27 53.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.806 -0.442 . . . . 53.3 109.806 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-O 119.012 -0.882 . . . . 74.14 112.025 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.355 -0.239 . . . . 64.44 110.355 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -71.58 -157.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.273 1.982 . . . . 73.1 111.006 173.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.12 156.06 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.871 -0.418 . . . . 75.53 109.871 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.476 ' HG2' HG22 ' A' ' 13' ' ' THR . 42.4 mt-10 -113.57 158.15 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.178 -0.465 . . . . 64.54 109.816 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.455 ' SG ' HG22 ' A' ' 14' ' ' VAL . 87.3 m -147.31 165.92 28.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.389 -0.369 . . . . 74.42 110.852 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.3 t70 -141.47 151.28 43.22 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.455 -0.572 . . . . 72.54 109.455 177.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.617 HG22 ' SG ' ' A' ' 24' ' ' CYS . 53.9 t -141.03 99.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.998 -0.742 . . . . 74.2 108.998 -177.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 56.35 10.09 0.61 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.039 0.535 . . . . 74.53 112.278 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.55 -32.86 2.34 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 120.809 -0.71 . . . . 72.34 112.906 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -83.8 142.25 30.79 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 110.17 -0.308 . . . . 75.53 110.17 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.9 m -113.48 133.34 55.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.963 0.411 . . . . 61.11 111.277 -173.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -128.63 178.92 5.98 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.662 -0.699 . . . . 71.15 110.048 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.476 HG22 ' HG2' ' A' ' 4' ' ' GLU . 19.5 p -133.48 135.71 44.65 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.215 -0.291 . . . . 63.34 110.215 174.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' A' ' 20' ' ' CYS . 27.0 m -132.6 170.61 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 71.41 111.134 -176.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.555 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 37.0 t -66.04 -48.41 71.18 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.105 -0.498 . . . . 74.21 110.695 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.6 p -153.54 172.74 16.7 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.378 -0.374 . . . . 70.15 110.778 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 p -56.55 -33.54 66.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 65.35 110.682 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.31 -58.01 10.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.744 -0.662 . . . . 53.12 110.04 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.555 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 19.8 mm-40 -58.43 -33.08 69.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.274 -0.875 . . . . 64.13 110.827 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.786 ' SG ' HG22 ' A' ' 34' ' ' VAL . 9.4 t -62.66 -55.71 24.38 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.658 -0.701 . . . . 72.51 110.225 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 81.6 mm-40 -54.84 -51.4 65.98 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.59 -0.732 . . . . 75.34 109.789 177.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -50.57 -45.15 57.02 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.32 -0.4 . . . . 75.25 110.954 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.3 tp -61.25 -61.56 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 64.2 110.736 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.617 ' SG ' HG22 ' A' ' 7' ' ' VAL . 72.6 m -60.72 -43.24 98.1 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 116.477 -0.329 . . . . 70.11 111.846 -174.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 20.0 mmt180 -66.72 -41.29 88.17 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 110.145 -0.317 . . . . 62.32 110.145 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.3 -41.14 97.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.471 -0.331 . . . . 63.34 110.413 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 93.8 mt -61.5 -35.09 76.72 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.416 -0.587 . . . . 60.04 109.416 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.39 23.64 9.43 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.557 -0.747 . . . . 43.13 112.001 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.74 116.89 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.848 -0.427 . . . . 64.12 109.848 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.0 m -75.28 -38.33 60.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.955 -0.566 . . . . 60.35 110.348 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -70.97 84.82 0.69 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.661 0.743 . . . . 73.21 109.605 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t -136.51 162.28 33.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.507 -1.224 . . . . 43.3 108.606 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 38.2 ttm180 -143.55 143.11 31.39 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.402 -0.222 . . . . 75.44 110.402 -175.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.786 HG22 ' SG ' ' A' ' 20' ' ' CYS . 44.7 t -116.61 140.49 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.413 -0.358 . . . . 75.22 110.486 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -140.9 99.69 3.66 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.697 -0.482 . . . . 64.22 109.697 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 77.9 m -113.11 100.53 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.283 -0.636 . . . . 71.12 109.283 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.68 -1.067 . . . . 64.32 111.026 -175.851 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 110.213 -0.292 . . . . 73.42 110.213 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -76.77 71.32 6.14 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.61 2.207 . . . . 74.53 111.294 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -67.04 172.43 4.55 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.06 -0.973 . . . . 42.01 110.743 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 41.3 mt-10 -132.98 174.26 10.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.249 -0.887 . . . . 64.33 109.869 -177.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 t -149.05 133.39 17.48 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.517 -0.92 . . . . 70.25 108.517 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 7.1 m-20 -113.3 104.35 12.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.169 0.509 . . . . 71.54 111.014 -172.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.512 HG22 ' SG ' ' A' ' 24' ' ' CYS . 56.5 t -113.13 110.54 32.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.628 -0.715 . . . . 75.55 109.871 -175.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.8 t30 59.41 21.16 9.5 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.446 0.641 . . . . 75.11 110.877 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.62 -19.5 47.39 Favored Glycine 0 C--N 1.329 0.139 0 C-N-CA 121.172 -0.537 . . . . 60.3 112.316 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.93 143.61 41.54 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.425 -0.583 . . . . 61.34 109.425 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.6 m -113.42 119.39 37.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.138 0.494 . . . . 50.41 110.774 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -113.7 168.27 9.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.589 -0.732 . . . . 74.42 109.108 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 1.5 p -113.55 134.99 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 70.44 110.606 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.526 HG21 ' HB2' ' A' ' 20' ' ' CYS . 26.7 m -138.16 168.03 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 72.32 110.476 -177.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.1 m -63.44 -46.44 86.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.911 -0.586 . . . . 55.14 110.946 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 p -169.15 -174.55 2.04 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.32 -0.4 . . . . 55.34 110.45 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 m -50.47 -40.35 50.58 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.029 -0.532 . . . . 75.33 110.88 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -50.72 -55.37 16.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.319 -0.855 . . . . 65.02 110.776 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.54 -27.99 58.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.471 -0.786 . . . . 73.23 111.264 -174.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.526 ' HB2' HG21 ' A' ' 14' ' ' VAL . 35.2 t -60.05 -59.6 5.17 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 109.431 -0.581 . . . . 52.42 109.431 174.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 45.5 mt-10 -57.92 -43.24 86.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.592 -0.731 . . . . 74.55 110.309 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 22' ' ' ARG . 45.3 ttp180 -59.2 -41.31 88.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.421 -0.354 . . . . 72.13 111.137 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 57.2 tp -64.34 -48.49 75.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.015 0.436 . . . . 63.34 110.114 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.512 ' SG ' HG22 ' A' ' 7' ' ' VAL . 55.7 m -63.97 -39.05 93.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.881 -0.6 . . . . 74.34 111.048 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 84.9 mtp180 -65.33 -38.83 91.35 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.797 -0.446 . . . . 75.24 109.797 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -59.87 -46.7 88.47 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.693 -0.685 . . . . 60.13 109.714 175.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 85.9 mt -68.92 -21.61 64.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.476 -0.784 . . . . 71.42 110.261 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.42 44.06 22.9 Favored Glycine 0 C--N 1.334 0.448 0 N-CA-C 111.096 -0.801 . . . . 73.41 111.096 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.492 HG11 HG13 ' A' ' 7' ' ' VAL . 13.3 p -129.82 131.71 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.405 -0.398 . . . . 44.24 110.628 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.6 p -86.9 -29.71 21.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.948 0.404 . . . . 71.24 110.029 176.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -69.15 78.08 0.35 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.687 0.756 . . . . 75.44 109.615 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 8.9 t -150.19 148.04 28.45 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.401 -1.272 . . . . 75.11 108.743 -174.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 30.9 mtp180 -138.76 162.53 34.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.411 -0.959 . . . . 64.14 108.411 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.1 t -112.77 117.11 54.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.152 -0.684 . . . . 72.41 109.152 -176.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 3.7 t-160 -113.9 99.22 7.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.865 -0.607 . . . . 74.23 110.407 -171.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 99.3 m -124.64 99.71 6.3 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.301 -1.0 . . . . 60.13 108.301 170.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.525 -1.153 . . . . 45.22 110.989 -173.491 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.586 -0.153 . . . . 63.23 110.586 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -81.9 -165.18 0.32 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.703 2.269 . . . . 74.03 110.72 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 16' ' ' SER . 15.0 m -128.53 148.06 50.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.786 0.327 . . . . 72.53 110.706 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -113.13 135.01 54.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.749 -0.834 . . . . 71.44 108.749 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 88.5 m -133.91 147.11 51.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.987 0.422 . . . . 61.43 111.425 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.465 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 18.2 t70 -113.85 151.41 32.17 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.935 -0.765 . . . . 62.21 108.935 173.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG13 HG11 ' A' ' 29' ' ' VAL . 50.2 t -143.13 99.73 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.904 -0.776 . . . . 72.02 108.904 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 57.82 19.62 5.85 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.179 0.437 . . . . 73.45 112.179 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.56 7.53 34.19 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.69 -0.767 . . . . 61.24 113.084 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -112.8 140.53 47.51 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.465 -0.568 . . . . 74.12 109.465 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.0 m -113.42 124.3 52.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.217 0.532 . . . . 72.32 111.694 -170.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -134.36 162.19 32.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.384 -0.825 . . . . 75.33 109.422 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.1 p -113.72 140.12 48.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.633 0.254 . . . . 72.43 110.352 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' A' ' 20' ' ' CYS . 27.0 m -125.96 160.1 33.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.219 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 t -69.53 -24.74 63.78 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.608 -0.269 . . . . 51.11 111.536 -176.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.68 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 22.3 t -166.81 169.69 13.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.729 0.299 . . . . 74.12 110.928 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -63.33 -37.45 87.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.068 -0.515 . . . . 63.43 110.268 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 16.6 tp10 -58.78 -50.49 73.75 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.369 -0.604 . . . . 72.21 109.369 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -56.81 -35.63 68.99 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.781 -0.645 . . . . 73.23 110.947 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.822 ' SG ' HG22 ' A' ' 34' ' ' VAL . 11.7 t -59.05 -49.27 78.52 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 109.717 -0.475 . . . . 64.04 109.717 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 57.8 mm-40 -56.48 -50.25 72.31 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-N 115.627 -0.715 . . . . 63.41 110.254 175.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 29.9 mmt85 -50.85 -56.57 11.57 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.206 -0.452 . . . . 63.12 110.729 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.55 -50.66 72.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 73.32 111.289 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.5 -50.41 73.84 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.129 -0.487 . . . . 61.34 110.941 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 24.7 mmt180 -71.0 -28.6 64.54 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.429 -0.351 . . . . 64.34 110.505 -177.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 8.9 tmtt? -68.26 -45.81 72.13 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.312 -0.625 . . . . 52.14 109.312 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.55 -30.61 68.45 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.921 -0.581 . . . . 75.33 109.84 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.06 31.48 7.63 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.798 -0.637 . . . . 73.21 111.954 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG11 HG13 ' A' ' 7' ' ' VAL . 57.8 t -98.76 143.86 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.092 -0.336 . . . . 75.14 110.092 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.2 m -101.12 -32.88 10.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.09 0.472 . . . . 74.53 110.528 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -93.21 83.6 4.66 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.234 0.54 . . . . 43.33 110.962 -177.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 67.5 m -126.61 135.67 51.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.375 -0.829 . . . . 73.14 108.787 174.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -113.95 132.4 55.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.872 -0.418 . . . . 72.2 109.872 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.822 HG22 ' SG ' ' A' ' 20' ' ' CYS . 40.4 t -113.79 133.69 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.989 0.423 . . . . 71.02 111.581 -175.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -136.35 119.16 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.511 -0.768 . . . . 65.4 109.024 171.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.9 t -144.41 116.1 8.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.295 -0.261 . . . . 63.44 110.295 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.549 -1.14 . . . . 74.24 111.534 -179.319 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 109.975 -0.38 . . . . 51.25 109.975 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.98 154.93 38.32 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.256 1.971 . . . . 74.34 111.746 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.1 m -128.52 -179.76 5.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.337 -0.616 . . . . 73.14 109.337 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.57 172.55 6.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.199 0.524 . . . . 72.1 110.693 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.1 t -144.15 140.61 29.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.333 -0.849 . . . . 71.32 109.278 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 9.9 t70 -113.79 133.25 55.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.919 -0.771 . . . . 71.22 108.919 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.8 t -137.93 102.47 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.195 -0.668 . . . . 44.32 109.195 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 61.68 15.97 7.38 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.048 0.539 . . . . 72.44 111.153 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.22 -4.82 31.64 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.013 -0.613 . . . . 65.55 112.931 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 6' ' ' ASP . 12.6 tp10 -93.06 148.31 22.11 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.957 -0.386 . . . . 74.32 109.957 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.0 m -113.86 117.15 30.61 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.243 0.544 . . . . 73.2 111.67 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -114.06 175.53 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.992 -0.744 . . . . 72.43 108.992 172.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 p -113.92 136.84 52.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.745 0.307 . . . . 65.02 110.682 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 20' ' ' CYS . 23.5 m -137.59 168.6 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 62.21 111.015 -176.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.485 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 4.6 m -62.23 -39.01 91.38 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.924 -0.58 . . . . 70.34 110.935 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.2 t -172.68 177.75 2.84 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.77 -0.65 . . . . 74.5 109.473 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -55.41 -39.63 70.46 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.024 0.44 . . . . 75.12 110.735 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 2.1 mp0 -55.72 -48.41 75.22 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.663 -0.698 . . . . 65.45 109.647 176.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' CD ' HH21 ' A' ' 22' ' ' ARG . 7.2 tp10 -62.34 -36.85 83.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.19 -0.914 . . . . 74.01 110.134 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.523 ' HB2' HG21 ' A' ' 14' ' ' VAL . 37.7 t -60.98 -45.86 93.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.975 -0.557 . . . . 64.45 110.617 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -66.15 -42.89 88.42 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.575 -0.528 . . . . 74.11 109.575 -177.383 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.514 HH21 ' CD ' ' A' ' 19' ' ' GLU . 20.8 mtm180 -60.89 -44.83 96.56 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 116.261 -0.427 . . . . 54.12 111.05 177.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.06 -43.91 97.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.024 0.44 . . . . 74.41 110.144 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.0 t -56.32 -47.67 78.28 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.772 -0.649 . . . . 73.44 110.079 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 2.8 mmp_? -67.55 -29.45 68.83 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.635 -0.711 . . . . 75.33 111.162 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 55.5 mmtt -67.97 -46.88 70.15 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.839 0.352 . . . . 55.41 110.535 176.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.92 -29.76 70.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.955 -0.566 . . . . 71.34 109.654 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.69 19.17 30.24 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 115.578 -0.737 . . . . 73.11 111.623 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.73 154.77 3.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 122.701 0.4 . . . . 64.42 110.574 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.3 p -111.9 -33.61 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.191 0.519 . . . . 53.35 109.878 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -74.2 89.65 2.03 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.636 -0.711 . . . . 72.33 110.004 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 83.0 m -144.78 157.6 44.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.228 -0.442 . . . . 75.33 109.889 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 17.7 ttp180 -149.16 156.3 41.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.25 -0.648 . . . . 71.21 109.25 -175.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.8 m -113.69 149.57 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.984 0.421 . . . . 63.44 111.726 -173.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -151.79 153.2 33.8 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.238 -0.653 . . . . 73.45 109.238 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.8 t -158.77 175.25 13.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.686 -0.487 . . . . 65.34 109.686 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.658 -1.079 . . . . 44.12 112.067 -178.456 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.515 0.198 . . . . 72.13 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -91.19 -107.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.981 2.454 . . . . 74.2 111.107 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t -162.16 158.01 24.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.346 -0.613 . . . . 74.22 109.346 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -125.84 146.63 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 122.141 0.176 . . . . 71.02 110.764 -174.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 85.8 m -140.43 144.22 36.01 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.788 0.328 . . . . 62.21 111.706 -176.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.542 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 16.8 t70 -113.46 109.2 18.29 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.586 -0.734 . . . . 71.33 109.106 175.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.68 HG12 ' HB3' ' A' ' 32' ' ' CYS . 4.2 m -113.33 101.51 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 123.192 0.597 . . . . 71.32 110.252 -178.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.448 ' HB2' HG13 ' A' ' 29' ' ' VAL . 66.0 t30 64.14 19.67 11.86 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.549 -0.751 . . . . 71.33 110.891 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.12 -14.73 36.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.218 -0.515 . . . . 53.11 112.366 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.624 ' HB2' HG23 ' A' ' 7' ' ' VAL . 46.5 mm-40 -82.95 140.2 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.4 -0.592 . . . . 71.35 109.4 175.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.9 m -113.77 109.56 18.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.909 0.385 . . . . 65.51 110.32 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -120.06 167.47 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 73.52 109.823 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -113.75 132.98 55.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.831 0.348 . . . . 73.35 110.601 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 20' ' ' CYS . 30.7 m -121.4 171.33 10.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.011 -0.541 . . . . 74.41 110.951 -176.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 m -86.95 -23.13 25.21 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.146 -0.479 . . . . 72.31 111.799 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -166.73 171.83 11.12 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.581 0.229 . . . . 71.15 110.441 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.479 ' HA ' HG21 ' A' ' 34' ' ' VAL . 21.8 p -59.05 -43.97 91.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.54 109.68 174.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.62 -47.42 79.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.414 -0.812 . . . . 73.32 110.35 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -62.27 -32.67 73.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.769 -0.65 . . . . 64.41 110.261 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 10.7 t -67.39 -46.97 71.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.202 -0.453 . . . . 64.31 109.966 178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' O ' ' HD2' ' A' ' 25' ' ' ARG . 18.9 mm-40 -58.04 -42.74 86.01 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.792 -0.64 . . . . 71.51 109.94 175.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -61.11 -47.76 84.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.234 -0.893 . . . . 72.11 109.9 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.07 -39.72 94.69 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.607 -0.724 . . . . 74.21 110.701 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.654 ' SG ' ' NH2' ' A' ' 25' ' ' ARG . 35.1 t -61.44 -47.77 84.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.073 -0.512 . . . . 63.12 110.166 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.654 ' NH2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.88 -39.54 90.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.69 0.281 . . . . 75.51 110.599 175.843 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -56.5 -47.96 78.17 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.049 -0.523 . . . . 72.23 110.902 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.518 ' HB2' HG23 ' A' ' 29' ' ' VAL . 82.8 mt -83.81 -22.12 31.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.471 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.12 50.24 13.4 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.055 -0.818 . . . . 75.25 111.055 -177.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 27' ' ' LEU . 61.4 t -88.19 145.21 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 75.03 110.644 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p -75.5 -63.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.84 -0.618 . . . . 52.43 110.441 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -103.62 105.96 16.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.413 -0.812 . . . . 73.35 110.945 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.68 ' HB3' HG12 ' A' ' 7' ' ' VAL . 2.2 p -124.88 120.33 31.36 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.741 -0.466 . . . . 65.52 109.741 174.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 34' ' ' VAL . 19.5 tpt85 -113.82 130.81 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.37 -0.604 . . . . 62.11 109.37 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.561 ' HB ' ' SG ' ' A' ' 20' ' ' CYS . 7.3 p -113.67 140.38 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.254 -0.276 . . . . 53.1 110.254 -177.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -152.96 124.36 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.397 -0.594 . . . . 72.15 109.397 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 m -114.03 122.56 47.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.735 -0.468 . . . . 64.12 109.735 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.488 -1.173 . . . . 70.15 111.841 -179.356 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.385 -0.228 . . . . 72.41 110.385 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.11 -159.13 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.648 2.232 . . . . 74.45 111.657 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.488 ' HB2' HG23 ' A' ' 14' ' ' VAL . 73.5 m -129.19 136.29 49.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.959 0.409 . . . . 74.44 110.258 178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.71 123.4 49.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.766 -0.827 . . . . 74.35 108.766 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.8 m -119.67 144.21 47.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.446 0.906 . . . . 63.44 113.446 -166.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 8.1 t70 -113.63 101.31 9.21 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.698 -1.137 . . . . 63.4 108.336 172.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.0 t -113.71 110.72 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 122.983 0.513 . . . . 74.22 110.38 -175.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 63.17 22.2 13.25 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.441 0.638 . . . . 71.55 110.324 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 -17.11 59.27 Favored Glycine 0 C--N 1.33 0.23 0 CA-C-N 115.949 -0.568 . . . . 75.04 111.956 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.26 146.22 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.797 -0.445 . . . . 71.1 109.797 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 m -113.73 113.55 25.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.861 0.363 . . . . 65.24 110.359 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -132.17 161.37 33.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.048 -0.524 . . . . 74.43 110.34 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 p -113.66 133.06 55.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.302 -0.408 . . . . 51.44 110.063 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 20' ' ' CYS . 32.4 m -126.08 165.43 24.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.945 -0.571 . . . . 54.12 110.745 -174.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m -75.81 -38.19 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 75.23 111.668 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 m -146.72 158.45 43.91 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.886 0.374 . . . . 72.24 110.958 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.554 ' HB3' ' SG ' ' A' ' 36' ' ' CYS . 11.2 p -56.84 -49.8 74.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.939 -0.573 . . . . 51.31 110.739 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -57.6 -41.96 82.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.786 -0.643 . . . . 72.45 110.788 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.59 -36.88 81.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.118 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.536 ' HB2' HG21 ' A' ' 14' ' ' VAL . 28.3 t -56.93 -47.38 80.74 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.269 0.557 . . . . 71.25 109.925 175.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.55 -39.8 95.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.468 -0.787 . . . . 75.51 110.345 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -62.6 -46.25 89.15 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 116.079 -0.51 . . . . 75.55 110.743 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.06 -42.01 99.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.039 0.447 . . . . 71.51 109.914 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.3 t -60.16 -47.54 85.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.762 -0.653 . . . . 64.21 110.261 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -26.76 62.37 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.27 0.557 . . . . 64.5 110.191 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -66.86 -45.05 79.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.557 -0.747 . . . . 75.44 109.237 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.18 -24.5 57.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 75.41 110.337 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.67 42.99 6.63 Favored Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.797 -0.638 . . . . 75.1 111.971 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -112.22 151.39 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 122.487 0.315 . . . . 54.23 110.176 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 p -103.55 -33.56 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.215 0.531 . . . . 61.22 110.531 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -88.69 97.1 10.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 73.44 110.584 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 3.1 p -151.19 119.09 6.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.557 -0.747 . . . . 43.34 109.046 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -113.64 135.21 54.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.554 -0.535 . . . . 73.42 109.554 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.0 136.31 52.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.039 0.447 . . . . 71.55 111.476 -174.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -115.98 110.46 18.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.941 -0.763 . . . . 73.31 108.941 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 17' ' ' SER . 75.2 m -113.81 109.38 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.0 -0.37 . . . . 73.45 110.0 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.955 -0.914 . . . . 55.15 111.626 -179.082 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.984 -0.376 . . . . 74.25 109.984 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -67.54 -174.03 0.52 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.821 2.347 . . . . 64.3 112.684 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HB2' HG23 ' A' ' 14' ' ' VAL . 97.5 m -103.9 146.54 28.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.05 -0.523 . . . . 74.54 110.777 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.501 ' HB2' ' HB2' ' A' ' 35' ' ' HIS . 36.9 mt-10 -115.29 125.35 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.63 -0.507 . . . . 72.12 109.63 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 11' ' ' THR . 80.0 m -113.62 138.45 50.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.803 0.335 . . . . 70.53 111.176 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.51 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 21.6 t70 -113.61 108.48 17.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.721 -0.672 . . . . 70.24 109.769 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 4.5 m -113.01 106.64 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 123.737 0.815 . . . . 63.53 110.629 -178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 67.49 0.81 2.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.882 -0.599 . . . . 64.03 111.747 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.88 -14.06 7.57 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.128 -0.558 . . . . 53.14 111.851 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -88.08 134.82 33.66 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.651 -0.5 . . . . 63.32 109.651 174.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 96.7 m -113.78 115.1 27.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.388 0.613 . . . . 53.2 110.706 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -113.85 172.3 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.436 -0.802 . . . . 71.12 109.448 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -116.35 132.6 56.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 72.44 111.058 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG11 ' HA ' ' A' ' 20' ' ' CYS . 19.4 m -124.91 163.27 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.881 -0.599 . . . . 70.51 110.535 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.8 t -84.01 -12.77 54.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 52.2 111.819 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.6 t -174.19 173.11 3.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.643 0.259 . . . . 75.52 110.889 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 t -62.44 -43.55 98.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.775 -0.648 . . . . 73.43 110.331 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 19' ' ' GLU . 14.9 pt-20 -60.49 -43.28 97.18 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.486 -0.561 . . . . 75.24 109.486 178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 12.3 tp10 -62.06 -35.14 77.74 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.329 -0.851 . . . . 72.43 109.729 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.48 ' HA ' HG11 ' A' ' 14' ' ' VAL . 17.7 t -63.99 -58.05 7.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.045 -0.98 . . . . 54.4 110.44 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.09 -36.8 75.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.517 -0.765 . . . . 74.3 110.496 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -59.72 -54.39 46.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.194 -0.457 . . . . 71.04 110.685 175.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.21 -46.46 90.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.323 -0.399 . . . . 73.24 110.997 -177.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.1 m -59.13 -44.34 92.04 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.098 -0.501 . . . . 74.34 110.713 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -75.94 -21.77 56.67 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.741 0.305 . . . . 73.31 110.9 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -68.2 -45.05 74.46 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 108.758 -0.83 . . . . 71.21 108.758 176.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.1 mt -70.15 -33.31 71.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.931 -0.577 . . . . 75.14 109.693 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.19 23.58 16.78 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.654 -0.703 . . . . 43.44 112.052 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -103.5 121.04 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.16 -0.311 . . . . 61.22 110.16 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -80.44 -28.4 37.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.959 0.409 . . . . 63.12 110.327 177.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.5 m-20 -72.92 74.15 1.15 Allowed 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.284 -0.635 . . . . 71.15 109.284 175.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -122.92 123.14 40.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.301 -0.863 . . . . 73.41 109.502 -176.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 12.5 tpp180 -113.82 143.07 45.26 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.088 -0.708 . . . . 72.11 109.088 -177.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.44 HG22 ' SG ' ' A' ' 20' ' ' CYS . 59.4 t -113.56 121.77 66.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.203 0.525 . . . . 74.32 111.728 -173.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 7.2 m-70 -113.9 144.03 43.72 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.656 -1.239 . . . . 74.31 107.656 171.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.3 m -146.44 106.55 4.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.001 0.429 . . . . 74.42 110.66 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.818 -0.99 . . . . 72.15 111.749 -177.651 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 110.371 -0.233 . . . . 70.02 110.371 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -90.82 169.68 3.62 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.826 2.35 . . . . 53.32 113.125 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -138.35 -174.64 3.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.547 -0.751 . . . . 73.23 109.481 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 12.9 pt-20 -113.84 166.12 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.826 0.346 . . . . 73.43 110.158 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -143.87 130.79 20.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.82 -0.807 . . . . 74.2 108.82 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.646 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 32.2 t70 -113.28 106.27 14.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.073 0.463 . . . . 74.0 110.426 -175.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.62 ' HB ' HG21 ' A' ' 29' ' ' VAL . 3.2 m -113.75 108.6 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.059 -0.973 . . . . 74.54 110.833 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 63.17 24.84 14.58 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.283 0.563 . . . . 73.41 111.199 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.88 -12.5 65.77 Favored Glycine 0 C--O 1.236 0.235 0 C-N-CA 121.014 -0.612 . . . . 41.35 111.846 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -84.87 127.95 34.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.917 -0.772 . . . . 61.22 108.917 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.4 m -113.21 111.31 21.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.158 0.504 . . . . 64.31 110.29 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -113.75 173.62 6.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.319 -0.855 . . . . 73.51 109.378 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -113.64 133.61 55.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.127 0.489 . . . . 73.43 110.951 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 20' ' ' CYS . 30.8 m -130.44 166.94 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.517 -0.765 . . . . 75.42 110.431 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.496 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 32.4 t -66.67 -40.57 88.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.638 0.256 . . . . 72.41 111.108 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -161.7 176.72 10.64 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.711 0.291 . . . . 73.51 110.487 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 p -56.45 -42.0 77.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 71.51 110.753 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 35.8 mt-10 -63.28 -37.86 88.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.908 -0.587 . . . . 71.14 110.407 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.496 ' HG2' ' H ' ' A' ' 15' ' ' SER . 6.1 tp10 -61.67 -40.51 95.22 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.805 -0.634 . . . . 74.24 109.417 175.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.466 ' HB2' HG21 ' A' ' 14' ' ' VAL . 29.4 t -61.65 -39.25 90.68 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.944 -0.571 . . . . 73.12 110.448 175.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 42.7 mt-10 -58.53 -48.98 79.05 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 110.006 -0.368 . . . . 61.44 110.006 176.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 96.2 mtt180 -57.19 -46.11 83.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.623 -0.717 . . . . 74.23 110.81 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.94 -46.92 87.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.052 -0.522 . . . . 74.44 109.983 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.6 t -56.47 -46.28 80.48 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.645 -0.707 . . . . 71.04 110.931 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 36.4 mmt180 -68.25 -47.7 67.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.738 -0.664 . . . . 62.4 110.564 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.14 -35.45 71.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.568 -0.742 . . . . 72.4 110.899 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.468 ' HB2' HG23 ' A' ' 29' ' ' VAL . 80.1 mt -90.9 -23.51 20.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 70.43 110.891 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.2 38.7 46.15 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.115 -0.564 . . . . 73.13 112.14 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.62 HG21 ' HB ' ' A' ' 7' ' ' VAL . 61.8 t -83.94 148.02 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.475 0.178 . . . . 73.12 110.897 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 p -80.35 -54.92 5.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.097 0.475 . . . . 73.31 110.756 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -98.94 105.59 17.75 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.888 -0.597 . . . . 73.23 110.817 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.646 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 4.5 p -131.51 118.55 20.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.551 -0.537 . . . . 73.21 109.551 174.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -123.45 168.58 12.37 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.653 -0.249 . . . . 72.51 110.359 -175.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -125.17 155.47 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.782 0.325 . . . . 73.22 111.289 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.511 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 38.7 t-80 -160.69 150.09 17.21 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.131 -0.692 . . . . 74.31 109.131 175.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.2 m -135.25 114.84 12.68 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 122.323 -0.235 . . . . 75.33 110.562 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.752 -1.027 . . . . 71.33 111.813 179.307 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.4 -0.222 . . . . 73.41 110.4 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -78.82 63.81 8.66 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.938 2.426 . . . . 74.53 111.091 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' HIS . 61.0 m -64.13 170.97 3.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.873 -1.058 . . . . 61.15 111.759 -175.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -113.38 148.53 35.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.284 0.564 . . . . 74.34 112.081 -171.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -127.99 145.65 50.91 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.001 -1.0 . . . . 73.32 108.983 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 23.8 t70 -136.82 100.2 4.25 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.602 0.361 . . . . 74.54 110.485 -171.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.486 HG22 ' SG ' ' A' ' 24' ' ' CYS . 40.4 t -113.83 114.36 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.293 -0.412 . . . . 75.42 110.39 -175.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 92.3 m-20 60.56 21.62 11.41 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.136 -0.484 . . . . 62.25 111.315 -179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.18 -12.07 70.57 Favored Glycine 0 C--O 1.235 0.196 0 C-N-CA 121.041 -0.599 . . . . 40.24 112.042 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -81.92 155.64 25.18 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.285 -0.635 . . . . 74.43 109.285 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -113.28 125.62 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.34 0.59 . . . . 72.12 111.704 -170.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -124.29 152.28 43.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.181 -0.918 . . . . 75.5 108.686 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.7 139.07 49.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.723 0.297 . . . . 75.41 110.266 177.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' A' ' 20' ' ' CYS . 20.5 m -141.27 166.16 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.774 -0.648 . . . . 75.34 110.199 -176.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 t -90.49 -20.44 22.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.361 -0.381 . . . . 61.44 110.078 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.587 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 12.8 m -146.18 147.23 31.26 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 121.908 0.861 . . . . 72.4 112.108 -177.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.824 ' HA ' HG21 ' A' ' 34' ' ' VAL . 11.9 p -52.52 -53.27 48.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.64 -1.164 . . . . 75.12 110.175 175.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.46 -33.29 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.57 -0.741 . . . . 75.44 111.725 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HG3' ' HB2' ' A' ' 16' ' ' SER . 83.5 mt-10 -62.38 -52.29 64.2 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.518 -0.549 . . . . 73.51 109.518 175.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.48 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 4.7 t -53.65 -52.37 60.16 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.689 -0.687 . . . . 62.52 110.704 175.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 17' ' ' SER . 43.1 mt-10 -60.53 -38.06 83.22 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.916 -0.584 . . . . 71.1 111.092 -177.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.4 tpp180 -64.97 -45.29 86.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 71.24 110.14 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 64.7 tp -58.77 -50.95 72.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.847 -0.615 . . . . 60.55 109.827 177.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.486 ' SG ' HG22 ' A' ' 7' ' ' VAL . 62.2 m -60.46 -44.04 96.26 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.807 -0.633 . . . . 71.42 111.442 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -69.79 -31.17 68.94 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.703 -0.48 . . . . 74.11 109.703 -178.133 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -65.7 -52.07 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 63.15 109.924 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 81.4 mt -61.23 -32.18 71.97 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.807 -0.633 . . . . 61.24 110.078 177.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.46 36.49 8.71 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.542 -0.754 . . . . 63.11 111.822 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.04 123.92 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 122.246 0.219 . . . . 72.31 110.613 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 m -73.65 -38.31 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 65.04 110.977 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.486 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 78.2 m-20 -77.41 91.47 3.88 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.151 0.501 . . . . 71.43 110.388 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 32.5 t -152.61 132.57 13.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.54 -0.755 . . . . 60.1 109.209 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.525 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.1 mtp180 -134.21 162.39 32.27 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.665 -0.865 . . . . 74.02 108.665 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.824 HG21 ' HA ' ' A' ' 17' ' ' SER . 7.5 p -153.95 130.71 2.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.815 0.34 . . . . 74.51 110.636 -179.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 61.5 t60 -114.0 124.1 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.103 -1.073 . . . . 71.32 108.103 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.2 t -140.74 99.96 3.74 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.81 -0.441 . . . . 74.43 109.81 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.81 -0.994 . . . . 73.44 110.954 -177.417 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.465 -0.198 . . . . 62.02 110.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.09 -172.15 0.21 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.793 2.329 . . . . 74.3 112.038 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m -129.75 162.8 27.6 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.318 0.58 . . . . 74.32 111.532 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.497 ' HG2' HG22 ' A' ' 13' ' ' THR . 39.8 mt-10 -113.74 156.93 22.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.014 -0.994 . . . . 73.51 108.376 176.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.0 m -139.46 145.87 39.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.67 0.271 . . . . 53.24 110.788 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.526 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 21.1 m-20 -112.84 107.11 15.59 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 123.141 0.577 . . . . 65.53 109.734 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 96.4 t -112.79 112.47 40.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 123.318 0.647 . . . . 63.41 109.588 -177.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 55.24 26.0 7.98 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.798 -0.637 . . . . 74.2 111.27 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.71 -15.98 56.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.23 -0.509 . . . . 74.42 113.138 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -91.13 149.22 21.89 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.623 -0.51 . . . . 70.12 109.623 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.1 m -113.45 118.67 35.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.175 0.512 . . . . 74.45 111.22 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -115.35 165.43 12.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.659 -0.701 . . . . 72.41 109.833 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.497 HG22 ' HG2' ' A' ' 4' ' ' GLU . 11.1 p -113.5 132.17 55.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.048 0.451 . . . . 74.21 109.994 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 20' ' ' CYS . 12.6 m -122.06 161.31 22.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.496 -0.775 . . . . 75.23 110.723 -175.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.2 t -64.87 -47.11 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 42.24 111.054 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.424 ' H ' ' HB3' ' A' ' 19' ' ' GLU . 16.6 m -153.66 174.26 14.72 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.858 0.361 . . . . 43.05 111.053 -176.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.5 p -56.37 -57.38 12.53 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.807 -0.633 . . . . 64.31 110.583 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -49.56 -44.71 46.91 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.531 -0.759 . . . . 70.22 110.598 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' A' ' 16' ' ' SER . 9.9 tp10 -58.87 -42.28 89.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.623 -0.717 . . . . 73.51 110.524 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.531 ' HB2' HG21 ' A' ' 14' ' ' VAL . 34.6 t -57.9 -54.61 44.99 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.097 -0.501 . . . . 73.15 110.42 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -55.93 -43.11 77.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.468 -0.787 . . . . 74.42 110.604 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.521 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 46.9 mtp180 -64.55 -42.76 95.51 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 116.262 -0.426 . . . . 73.42 111.251 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.63 -52.28 66.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.091 0.472 . . . . 73.22 110.054 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.0 m -66.98 -38.22 85.66 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.775 -0.648 . . . . 75.23 111.386 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -68.27 -34.21 75.78 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.053 0.454 . . . . 72.45 109.809 179.786 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -69.88 -45.22 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.714 -0.676 . . . . 51.04 109.998 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.54 -21.3 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.599 . . . . 72.11 110.131 176.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.3 23.45 65.59 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.883 -0.599 . . . . 63.24 111.963 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.0 t -99.14 116.44 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 71.43 110.304 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.6 m -75.04 -31.38 61.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.758 -0.655 . . . . 73.41 110.555 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 79.4 m-20 -73.55 85.73 1.57 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.404 -0.591 . . . . 74.45 109.404 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 23.8 t -149.38 111.83 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.895 -0.593 . . . . 75.52 109.929 -175.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 29.7 mmm180 -113.67 165.05 12.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.44 -0.578 . . . . 65.05 109.44 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' SG ' ' A' ' 20' ' ' CYS . 53.6 t -126.63 146.95 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.647 0.26 . . . . 60.23 110.817 -176.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -143.06 111.51 6.25 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 122.881 0.472 . . . . 72.5 109.927 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.1 m -113.6 130.06 56.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.952 -0.388 . . . . 54.35 109.952 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.554 -1.137 . . . . 72.41 112.055 -177.595 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 120.435 0.159 . . . . 55.53 110.584 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.435 ' HB2' ' H ' ' A' ' 3' ' ' CYS . 2.5 Cg_endo -81.74 -114.57 0.01 OUTLIER 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 123.097 2.531 . . . . 61.22 110.978 176.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 3.6 t -177.48 106.16 0.05 Allowed 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.399 -0.963 . . . . 62.11 108.399 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -113.26 171.51 7.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.136 0.494 . . . . 73.12 110.488 -175.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.428 ' SG ' HG21 ' A' ' 14' ' ' VAL . 67.9 m -145.45 171.38 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.886 -0.597 . . . . 54.2 110.62 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -134.31 145.67 49.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.577 -0.738 . . . . 65.03 109.514 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.773 HG13 HG11 ' A' ' 29' ' ' VAL . 78.1 t -141.85 99.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.605 -0.887 . . . . 63.24 108.605 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 65.15 -1.87 0.83 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.125 0.417 . . . . 72.4 112.125 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.48 -17.11 4.78 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.001 -0.618 . . . . 60.21 113.117 -176.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.66 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 14.6 pt-20 -92.98 157.7 16.18 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 117.249 0.524 . . . . 72.13 110.074 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -113.54 144.45 42.84 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.871 0.367 . . . . 55.3 111.651 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -137.82 167.45 21.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.921 -0.582 . . . . 54.35 109.681 175.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 p -114.39 134.24 55.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.578 -0.283 . . . . 54.53 110.658 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 ' SG ' ' A' ' 5' ' ' CYS . 31.4 m -133.08 173.27 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 71.52 110.601 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.652 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 29.8 t -86.95 -37.42 17.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 64.33 110.223 176.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 p -157.51 174.68 15.01 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.271 -0.422 . . . . 75.53 111.16 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -64.3 -29.15 70.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.075 -0.713 . . . . 63.32 109.075 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.02 -57.28 13.52 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.348 -0.842 . . . . 75.2 109.855 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.652 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 29.0 mm-40 -58.95 -37.49 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.23 -0.896 . . . . 63.12 110.369 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.12 -55.69 30.76 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.547 -0.752 . . . . 31.51 110.372 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 57.1 mm-40 -57.08 -51.09 70.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.796 -0.638 . . . . 71.21 110.21 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -50.54 -54.16 24.67 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.849 -0.614 . . . . 72.52 110.914 -177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.9 tp -58.99 -50.1 75.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.859 -0.61 . . . . 62.44 110.591 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.602 ' SG ' ' HB ' ' A' ' 29' ' ' VAL . 53.9 t -57.85 -49.54 76.32 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.833 -0.622 . . . . 51.42 111.438 -176.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 14.6 mmt180 -69.09 -35.27 76.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 74.54 110.431 -176.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -62.97 -44.5 95.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.837 0.351 . . . . 74.12 110.208 175.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 79.9 mt -70.69 -25.17 62.85 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.064 -0.517 . . . . 73.15 110.379 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.36 34.57 19.79 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.694 -0.685 . . . . 63.33 112.034 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.773 HG11 HG13 ' A' ' 7' ' ' VAL . 62.1 t -82.53 139.18 18.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.595 0.236 . . . . 73.23 110.559 -179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -81.07 -54.89 5.15 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.335 -0.393 . . . . 63.33 111.131 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -113.02 98.68 7.31 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.325 0.583 . . . . 75.11 111.199 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.3 p -135.89 137.8 41.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.459 -0.941 . . . . 70.24 108.459 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.875 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -127.78 177.66 6.67 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.599 0.238 . . . . 62.45 111.0 -176.515 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.2 p -125.88 139.95 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.956 0.408 . . . . 74.22 111.064 -176.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -128.21 99.35 5.42 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.298 -1.001 . . . . 54.11 108.298 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 t -130.53 105.33 7.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.143 -0.317 . . . . 61.33 110.143 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 119.043 -0.865 . . . . 73.13 111.819 -178.739 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.5 t . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.818 -0.438 . . . . 73.53 109.818 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -114.04 144.62 42.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.971 0.415 . . . . 74.24 110.373 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.6 t -130.24 129.02 42.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.28 -0.637 . . . . 72.11 109.28 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 29.1 t70 -113.48 103.76 11.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.176 0.512 . . . . 72.02 110.213 -175.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.642 HG22 ' SG ' ' A' ' 24' ' ' CYS . 9.6 t -113.18 124.2 69.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.88 -0.6 . . . . 53.22 109.762 -174.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t30 68.99 2.17 3.47 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.123 -0.49 . . . . 64.22 111.301 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.85 -10.4 32.16 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 111.86 -0.496 . . . . 62.44 111.86 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -95.13 149.9 20.79 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.788 -0.449 . . . . 72.42 109.788 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.3 m -113.21 128.04 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.343 0.592 . . . . 72.34 110.997 -172.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -125.59 168.2 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.154 -0.93 . . . . 61.1 109.287 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.3 p -113.72 139.0 49.45 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.251 -0.278 . . . . 64.4 110.251 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 20' ' ' CYS . 28.6 m -137.95 154.58 28.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.498 . . . . 62.3 110.082 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -66.87 -39.8 87.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.283 -0.417 . . . . 72.24 110.902 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.693 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 37.4 m -140.02 157.11 46.17 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.015 0.436 . . . . 75.25 111.471 -175.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 15.7 m -61.28 -34.79 75.77 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.974 -0.557 . . . . 71.15 110.442 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 2.3 pm0 -68.78 -31.77 71.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.687 -0.688 . . . . 52.01 110.162 177.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.693 ' HG2' ' HB2' ' A' ' 16' ' ' SER . 20.1 mm-40 -67.72 -38.75 84.02 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.504 -0.554 . . . . 70.52 109.504 175.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HB2' HG21 ' A' ' 14' ' ' VAL . 2.9 t -55.46 -56.96 14.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.919 -0.582 . . . . 74.41 110.041 171.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -48.39 -53.66 16.87 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.692 -0.686 . . . . 73.21 110.932 178.316 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -59.7 -41.81 91.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.077 -0.511 . . . . 74.41 111.188 -178.434 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.1 tp -58.15 -48.39 80.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.158 0.504 . . . . 71.52 110.241 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.642 ' SG ' HG22 ' A' ' 7' ' ' VAL . 60.6 m -61.59 -36.4 80.58 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.571 -0.741 . . . . 72.12 110.867 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 15.3 mmt180 -67.1 -37.82 84.58 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.511 176.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.718 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.93 -39.31 87.31 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.546 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.0 -25.94 59.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.773 -0.648 . . . . 60.3 110.062 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.28 41.0 27.28 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.764 -0.653 . . . . 61.12 111.754 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.43 128.96 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 110.14 -0.319 . . . . 70.14 110.14 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.7 p -77.11 -33.65 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 71.21 110.844 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -66.65 97.08 0.42 Allowed 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.235 -0.654 . . . . 72.02 109.235 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.2 t -155.12 128.08 8.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.807 -0.633 . . . . 73.45 109.625 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.53 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 39.5 mtp180 -128.9 164.29 23.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.033 -0.728 . . . . 70.14 109.033 -177.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.15 142.11 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.177 0.513 . . . . 51.54 111.702 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 . . . . . 0 C--N 1.329 -0.285 0 N-CA-C 108.338 -0.986 . . . . 63.32 108.338 174.313 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.233 0.23 0 N-CA-C 109.931 -0.396 . . . . 65.32 109.931 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 14.4 pt-20 -113.55 160.26 18.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.675 -0.491 . . . . 75.12 109.675 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -137.76 135.03 35.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.296 -0.411 . . . . 63.43 109.991 -174.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.587 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 3.7 m-20 -113.87 132.73 55.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.219 -0.659 . . . . 65.24 109.219 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.672 HG22 ' SG ' ' A' ' 24' ' ' CYS . 20.6 t -134.18 104.48 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 123.581 0.753 . . . . 75.42 109.356 -173.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 68.93 -68.77 0.17 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.566 0.746 . . . . 72.33 109.394 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.67 12.59 0.22 Allowed Glycine 0 CA--C 1.519 0.288 0 CA-C-N 115.234 -0.893 . . . . 71.03 112.254 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -109.85 144.24 38.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.333 -0.617 . . . . 62.34 109.333 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.2 m -113.9 133.59 55.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 64.32 111.174 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -136.85 175.7 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.637 -0.71 . . . . 74.31 109.909 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 p -113.81 140.58 48.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.257 -0.429 . . . . 65.01 110.251 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 20' ' ' CYS . 31.5 m -139.11 167.17 20.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.097 -0.501 . . . . 61.44 109.949 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.411 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 15.2 m -64.51 -45.78 85.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.767 0.317 . . . . 73.31 110.412 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -165.7 -173.78 2.85 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.649 0.737 . . . . 73.22 111.344 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.674 ' HA ' HG21 ' A' ' 34' ' ' VAL . 24.4 t -52.57 -49.37 65.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.593 -1.185 . . . . 73.43 111.176 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -57.33 -40.05 77.16 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.84 0.352 . . . . 73.42 110.756 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 15' ' ' SER . 5.9 mp0 -64.67 -48.64 74.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.142 -0.481 . . . . 75.2 110.418 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HB2' HG21 ' A' ' 14' ' ' VAL . 43.9 t -55.62 -52.03 65.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.015 0.436 . . . . 73.33 110.437 178.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -52.38 -52.05 55.69 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.707 -0.678 . . . . 75.25 110.71 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.26 -44.79 88.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.967 -0.56 . . . . 74.14 110.179 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.37 -57.29 13.41 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.36 -0.382 . . . . 74.03 110.766 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.672 ' SG ' HG22 ' A' ' 7' ' ' VAL . 68.8 m -59.42 -43.17 93.11 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.142 -177.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 25' ' ' ARG . 51.1 mtt180 -71.64 -26.93 62.75 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.244 -0.435 . . . . 71.2 110.992 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.53 -39.62 73.95 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.514 -0.551 . . . . 73.21 109.514 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.4 -25.23 61.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.542 -0.754 . . . . 74.34 109.987 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.16 13.82 61.41 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.75 -0.659 . . . . 63.21 111.885 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.12 118.82 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.948 -0.39 . . . . 61.2 109.948 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -78.38 -35.56 47.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 45.02 110.191 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -69.03 98.96 1.02 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.32 -0.622 . . . . 51.41 109.32 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 38.2 t -160.55 139.82 10.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.997 -0.372 . . . . 73.21 109.997 -175.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -143.76 137.27 27.96 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.199 0.199 . . . . 75.42 110.654 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 17' ' ' SER . 4.4 p -113.58 118.62 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.21 0.528 . . . . 73.13 110.321 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 53.4 t-80 . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 71.3 109.786 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.8 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.903 -0.406 . . . . 43.24 109.903 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 35' ' ' HIS . 4.9 mp0 -112.77 129.21 56.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.382 -0.599 . . . . 75.24 109.382 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.2 t -117.52 130.53 56.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.584 -0.735 . . . . 61.11 109.096 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.672 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 1.7 m-20 -112.96 111.25 21.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.543 -0.54 . . . . 71.25 109.543 -176.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' A' ' 9' ' ' GLY . 40.0 t -113.33 110.15 31.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 123.719 0.637 . . . . 73.43 109.824 -174.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t30 69.83 -22.14 0.16 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.504 0.722 . . . . 74.01 112.365 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . 151.43 -17.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.282 -0.727 . . . . 44.15 111.282 -176.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.58 148.27 24.17 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.943 -0.392 . . . . 74.45 109.943 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.5 m -113.65 119.1 36.29 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.095 0.474 . . . . 74.0 110.792 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.55 168.48 9.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.616 -0.72 . . . . 71.03 110.091 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 p -113.93 132.03 56.09 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.542 -0.54 . . . . 75.34 109.542 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -129.41 166.39 27.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.991 -0.55 . . . . 53.13 110.384 -175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.673 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 15.3 t -79.1 -28.07 42.99 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.375 -0.375 . . . . 70.0 111.231 -176.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.438 ' H ' ' HB2' ' A' ' 19' ' ' GLU . 49.4 m -163.89 171.67 15.05 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.695 0.284 . . . . 73.22 110.831 -175.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 p -61.25 -47.88 83.99 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.791 0.329 . . . . 55.42 110.326 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 1.7 pm0 -55.46 -32.85 63.12 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.931 -0.577 . . . . 71.12 110.789 174.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.673 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 11.7 mm-40 -71.3 -35.3 71.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.52 -0.309 . . . . 73.2 110.386 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' A' ' 34' ' ' VAL . 17.8 t -59.81 -58.55 8.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.41 -0.359 . . . . 71.32 110.666 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 15.2 pt-20 -59.55 -40.3 86.79 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.319 0.581 . . . . 74.2 110.172 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 68.9 ttt180 -54.37 -48.01 72.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.962 -1.017 . . . . 73.44 110.457 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.55 -45.18 92.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.734 -0.666 . . . . 73.43 109.439 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.5 m -59.66 -36.48 76.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.783 -0.644 . . . . 63.32 110.975 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HA ' HH11 ' A' ' 25' ' ' ARG . 11.2 mmm180 -72.66 -30.95 64.71 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.582 -0.281 . . . . 74.31 110.503 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -69.27 -43.82 73.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 72.4 110.184 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.8 mt -75.38 -34.22 61.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.316 -0.402 . . . . 74.13 110.936 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.21 42.57 4.9 Favored Glycine 0 CA--C 1.517 0.218 0 CA-C-N 116.104 -0.498 . . . . 52.21 112.137 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -124.06 143.02 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 110.029 -0.36 . . . . 64.22 110.029 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.6 m -96.22 -31.73 12.8 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.967 0.413 . . . . 65.54 111.247 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -77.62 104.56 8.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 63.11 110.881 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.672 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 64.4 m -147.49 159.24 43.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 61.22 110.273 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HB3' ' HB2' ' A' ' 6' ' ' ASP . 5.9 tpp180 -144.76 148.54 34.22 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.31 -0.626 . . . . 64.23 109.31 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.443 HG12 ' SG ' ' A' ' 20' ' ' CYS . 23.7 m -113.49 148.14 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 73.34 111.154 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 33.2 m-70 . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 108.864 -0.791 . . . . 74.32 108.864 176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.7 m . . . . . 0 C--O 1.231 0.094 0 N-CA-C 109.832 -0.432 . . . . 72.44 109.832 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -113.81 136.51 52.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.516 0.674 . . . . 73.02 112.394 -168.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.7 t -114.01 139.16 49.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.865 -1.061 . . . . 53.5 108.85 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 11.9 t70 -114.9 143.21 45.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.586 -0.524 . . . . 74.12 109.586 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -135.74 99.75 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.362 -0.607 . . . . 72.15 109.362 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 62.99 3.76 1.33 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 122.889 0.476 . . . . 73.04 111.578 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.11 -28.47 3.49 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.167 -0.539 . . . . 33.22 112.46 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -75.05 143.96 43.24 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.807 -0.442 . . . . 72.42 109.807 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.2 m -113.53 133.26 55.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 73.22 110.991 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -129.68 173.82 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.402 -0.817 . . . . 75.44 109.004 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -113.34 135.05 54.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.043 0.449 . . . . 73.2 110.569 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 22.7 m -140.97 153.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.562 -0.745 . . . . 71.14 109.552 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.0 t -63.74 -30.46 71.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.755 -0.202 . . . . 73.45 110.879 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -169.38 176.64 5.03 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.361 0.601 . . . . 74.04 111.15 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -62.08 -33.58 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.433 -0.803 . . . . 64.44 111.243 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.41 -45.24 88.8 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.468 -0.567 . . . . 52.2 109.468 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.546 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . 12.8 tp10 -65.23 -40.0 93.49 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.115 -0.948 . . . . 63.44 109.563 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.607 ' SG ' HG12 ' A' ' 34' ' ' VAL . 41.3 t -58.17 -54.07 51.13 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.948 -0.569 . . . . 73.12 110.945 176.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.649 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 32.6 mt-10 -61.36 -33.9 74.4 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.486 -0.324 . . . . 74.12 111.034 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 65.3 ttt180 -58.98 -46.41 88.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.73 -0.668 . . . . 60.42 109.638 175.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 tp -62.2 -46.14 90.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.703 -0.68 . . . . 74.14 110.629 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -53.06 -56.03 19.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.121 0.486 . . . . 71.01 110.968 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.649 ' NH1' ' HB3' ' A' ' 21' ' ' GLU . 80.7 mtt85 -68.29 -32.27 72.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.539 -0.755 . . . . 73.1 111.049 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.31 -45.26 92.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 72.43 110.389 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.46 -26.93 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 72.22 110.345 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.37 14.04 54.54 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.733 -0.667 . . . . 64.53 112.078 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.05 132.89 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.308 . . . . 74.43 110.474 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.5 p -94.34 -39.23 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 74.43 110.287 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -72.81 87.12 1.27 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.916 -0.584 . . . . 72.43 110.776 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 29.4 p -152.11 147.3 26.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.227 -0.897 . . . . 64.44 108.972 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 50.7 mtp180 -121.7 147.84 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 63.33 110.918 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.607 HG12 ' SG ' ' A' ' 20' ' ' CYS . 35.7 m -113.83 134.69 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 74.23 110.83 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.4 p80 . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 63.23 109.541 171.406 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 16' ' ' SER . 61.2 m . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.45 0.643 . . . . 72.43 111.352 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -113.8 142.89 45.51 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.661 -1.237 . . . . 75.34 107.661 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.4 m -138.52 146.11 41.55 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.987 0.422 . . . . 74.11 111.242 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 17.1 t70 -113.45 139.02 49.27 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.121 -1.066 . . . . 74.43 108.121 174.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 9' ' ' GLY . 61.0 t -140.29 104.3 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.05 -0.722 . . . . 74.13 109.05 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 69.56 -27.62 0.16 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.574 0.546 . . . . 73.32 112.417 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . 155.57 -15.2 0.46 Allowed Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.419 -0.672 . . . . 73.31 111.419 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -91.5 147.42 23.03 Favored 'General case' 0 CA--C 1.528 0.135 0 N-CA-C 109.525 -0.546 . . . . 72.23 109.525 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.7 m -113.74 137.25 51.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 55.23 110.498 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -133.24 162.07 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 75.5 109.403 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.4 p -113.85 131.2 56.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.652 -0.499 . . . . 75.33 109.652 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -131.39 179.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 74.42 110.301 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t -64.03 -76.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 65.43 110.454 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.419 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 6.8 m -141.89 -174.5 4.1 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.132 -0.486 . . . . 71.11 110.288 -176.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 m -51.32 -37.33 47.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.344 -0.389 . . . . 73.12 110.955 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -52.79 -62.69 1.49 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.577 -0.738 . . . . 74.52 109.942 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.26 -33.95 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.977 -1.011 . . . . 75.31 110.409 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.644 ' SG ' HG22 ' A' ' 34' ' ' VAL . 6.8 t -61.94 -60.4 3.68 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.653 -0.703 . . . . 51.01 110.784 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.0 -39.76 86.88 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.33 0.586 . . . . 64.22 110.388 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -55.64 -42.98 75.76 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.211 -0.904 . . . . 75.31 110.872 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 7' ' ' VAL . 7.3 tt -63.62 -44.03 95.13 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.537 -0.542 . . . . 62.13 109.537 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.2 m -54.18 -53.21 56.48 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.358 0.599 . . . . 73.33 110.16 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -73.64 -17.57 61.14 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.31 -0.859 . . . . 74.55 111.098 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -73.74 -45.87 49.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.198 -0.455 . . . . 71.33 109.832 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.7 mt -78.7 -21.05 48.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.959 -0.564 . . . . 74.42 110.116 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.91 11.53 61.55 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.69 -0.686 . . . . 75.43 111.992 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 t -104.94 113.43 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.96 -0.385 . . . . 75.24 109.96 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.0 m -76.6 -23.56 53.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.222 0.534 . . . . 72.14 110.36 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -69.2 91.1 0.5 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.753 -0.658 . . . . 74.45 109.941 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.9 p -155.07 160.31 40.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.284 -0.417 . . . . 74.51 110.64 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 23.9 mmt180 -132.15 151.23 51.9 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.89 0.476 . . . . 72.01 110.318 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.644 HG22 ' SG ' ' A' ' 20' ' ' CYS . 45.4 t -113.74 130.44 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 64.13 110.008 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 . . . . . 0 C--N 1.33 -0.279 0 N-CA-C 109.172 -0.677 . . . . 70.11 109.172 -179.654 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.9 t . . . . . 0 C--O 1.236 0.37 0 CA-C-O 120.926 0.393 . . . . 53.45 110.176 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -113.71 136.05 53.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.013 -0.54 . . . . 74.42 110.027 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.57 118.81 26.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.784 -1.191 . . . . 65.14 107.784 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 7.3 m-20 -112.88 108.99 18.15 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.253 0.549 . . . . 71.21 110.39 -170.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.6 t -115.07 123.06 70.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.348 -0.842 . . . . 71.04 110.191 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 t30 64.46 -0.29 0.95 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.062 0.545 . . . . 53.14 111.877 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.91 -24.37 7.93 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.634 -0.587 . . . . 64.32 111.634 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -83.53 156.65 22.7 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.982 -0.377 . . . . 72.41 109.982 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.5 m -113.59 124.4 52.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.256 0.551 . . . . 60.45 111.374 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -121.88 144.18 49.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.401 -1.333 . . . . 71.31 107.401 172.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -113.49 137.94 50.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.394 0.616 . . . . 30.24 111.806 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -133.12 179.79 4.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 114.886 -1.052 . . . . 62.42 109.288 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB3' ' OE1' ' A' ' 19' ' ' GLU . 12.2 t -92.69 -50.73 5.44 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 121.1 -0.24 . . . . 72.35 110.813 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.435 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 8.1 m -111.02 146.67 36.29 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.021 0.438 . . . . 73.12 112.003 -174.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.3 t -56.98 -35.82 69.61 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.79 -0.641 . . . . 74.34 109.427 174.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.33 -48.85 73.56 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.366 -0.834 . . . . 65.43 108.951 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.435 ' HG3' ' HB2' ' A' ' 16' ' ' SER . 50.2 mt-10 -66.19 -36.96 84.46 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.384 -0.825 . . . . 64.42 111.787 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.9 t -59.67 -63.48 1.28 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.796 0.332 . . . . 73.52 110.698 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 6.5 mm-40 -53.27 -45.42 68.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.106 -0.497 . . . . 54.25 110.443 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -54.47 -48.57 71.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.369 -0.832 . . . . 64.22 110.688 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 63.6 tp -59.98 -55.44 34.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.275 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.3 m -59.9 -37.25 78.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.029 -0.532 . . . . 73.24 111.679 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 25.5 mmt-85 -77.9 -25.14 48.29 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.71 0.291 . . . . 60.52 110.356 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -78.42 -24.64 46.08 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.494 -0.558 . . . . 75.21 109.494 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 90.9 mt -79.91 -33.96 39.42 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.075 -0.713 . . . . 62.35 109.075 171.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.29 25.4 26.36 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.104 -0.953 . . . . 74.21 112.099 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.79 136.11 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.159 -0.311 . . . . 63.01 110.159 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.5 m -91.48 -33.82 15.05 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.375 -0.375 . . . . 73.1 111.838 -175.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -80.33 48.04 0.98 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.299 0.571 . . . . 73.52 111.53 -175.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 11.6 t -113.8 143.69 44.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 52.42 109.779 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -131.87 146.53 52.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.715 -0.476 . . . . 75.42 109.715 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.74 138.62 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 62.52 111.027 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.0 t60 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 75.3 109.764 178.367 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.2 m . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.986 0.422 . . . . 73.12 110.427 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.36 159.7 19.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.64 . . . . 53.4 109.554 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.9 t -142.29 139.3 31.83 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.699 -0.682 . . . . 73.12 109.211 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.445 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 9.8 t70 -113.65 135.8 53.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.357 -0.979 . . . . 72.33 108.357 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.442 HG22 ' SG ' ' A' ' 24' ' ' CYS . 44.1 t -139.82 103.07 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.073 -0.714 . . . . 74.54 109.073 -174.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 61.5 11.83 4.05 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.245 0.545 . . . . 75.3 111.084 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.07 -29.09 5.66 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.182 -0.533 . . . . 60.24 112.503 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -81.47 143.96 31.71 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.008 -0.367 . . . . 64.11 110.008 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.7 m -114.17 117.68 31.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.924 0.392 . . . . 52.33 111.158 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -113.75 168.13 10.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.511 . . . . 75.41 109.744 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.0 p -113.48 131.84 55.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.044 0.449 . . . . 72.23 110.215 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 20' ' ' CYS . 26.7 m -125.19 163.55 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 74.32 111.193 -172.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.0 t -62.0 -30.17 70.77 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.924 -0.58 . . . . 74.32 111.771 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.42 ' H ' ' HB3' ' A' ' 19' ' ' GLU . 45.9 p -167.36 170.04 11.82 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.485 0.66 . . . . 54.13 111.811 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 m -55.8 -43.52 76.93 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.088 -0.96 . . . . 62.01 110.424 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 14.4 pt-20 -66.49 -38.03 86.37 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 109.73 -0.47 . . . . 71.33 109.73 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HB3' ' H ' ' A' ' 16' ' ' SER . 9.5 tp10 -64.37 -31.42 72.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.083 -0.508 . . . . 65.11 110.357 -177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.587 ' SG ' HG22 ' A' ' 34' ' ' VAL . 11.8 t -55.6 -67.1 0.31 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.903 0.382 . . . . 73.31 111.19 174.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -59.77 -39.27 84.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.045 0.45 . . . . 64.02 110.304 -179.031 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -55.71 -41.87 74.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.321 -0.854 . . . . 74.31 110.801 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.4 tp -66.09 -47.96 72.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.094 -0.503 . . . . 74.42 109.835 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 96.5 m -57.14 -38.4 73.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.627 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -67.44 -33.77 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.058 0.456 . . . . 72.11 110.138 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -33.22 75.14 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.854 -0.612 . . . . 75.45 109.678 175.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.06 -27.64 35.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.741 -0.663 . . . . 73.14 110.804 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.99 15.23 49.53 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 116.143 -0.48 . . . . 63.21 112.037 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 57.9 t -110.54 139.23 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.727 0.298 . . . . 75.5 110.297 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 p -108.45 -16.65 14.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.397 -0.365 . . . . 71.32 111.096 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -77.94 79.93 4.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.405 0.621 . . . . 61.12 110.106 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 86.0 m -138.76 -179.92 6.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.948 -1.024 . . . . 72.31 110.211 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 55.2 ttt180 -152.72 151.9 31.06 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.319 -0.623 . . . . 73.5 109.319 175.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.587 HG22 ' SG ' ' A' ' 20' ' ' CYS . 49.0 t -113.19 140.58 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.992 -0.373 . . . . 73.24 109.992 -177.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.78 0.324 . . . . 62.22 111.007 -179.097 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 C--O 1.235 0.312 0 CA-C-O 121.284 0.564 . . . . 62.13 110.72 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.86 165.46 12.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.725 -0.67 . . . . 73.04 110.124 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.6 t -141.05 135.52 31.12 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.243 -0.651 . . . . 74.03 109.243 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -113.7 135.45 53.93 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.117 -0.697 . . . . 72.11 109.117 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 43.6 t -139.29 104.5 2.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.193 -0.669 . . . . 64.03 109.193 -173.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 7.6 t30 69.1 2.81 3.77 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.152 0.501 . . . . 51.42 110.989 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.15 -15.44 18.37 Favored Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.679 -0.569 . . . . 42.4 111.679 -175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -80.07 137.65 36.82 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.991 -0.744 . . . . 75.44 108.991 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.5 m -113.75 116.75 29.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.292 0.567 . . . . 74.24 111.318 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -113.86 173.38 6.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.214 -0.903 . . . . 72.15 109.72 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p -113.96 140.25 48.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.796 0.332 . . . . 74.42 110.557 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 20' ' ' CYS . 28.7 m -142.73 155.94 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.155 -0.475 . . . . 63.01 110.08 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -84.82 -13.22 51.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.747 -0.206 . . . . 71.23 111.145 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.5 p -156.57 156.68 34.0 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.496 0.665 . . . . 75.41 111.888 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 p -60.64 -30.6 69.98 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.457 -0.792 . . . . 65.25 109.543 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.89 -45.9 91.02 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.385 -0.825 . . . . 73.33 109.443 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.1 -39.6 94.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.285 -0.871 . . . . 44.53 110.868 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.406 ' HB2' HG21 ' A' ' 14' ' ' VAL . 51.2 t -56.47 -56.42 21.4 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 120.925 0.393 . . . . 73.32 110.57 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -56.96 -45.47 82.82 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.067 -0.515 . . . . 61.04 110.339 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -53.16 -46.19 68.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.424 -0.807 . . . . 71.24 110.608 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.8 tp -64.8 -58.54 5.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.399 -0.364 . . . . 71.32 110.412 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.0 t -53.8 -52.88 58.87 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.433 0.635 . . . . 60.33 111.34 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -69.53 -34.32 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.533 -0.758 . . . . 64.24 111.628 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -65.85 -48.45 71.55 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.764 -0.458 . . . . 75.44 109.764 176.549 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.97 -31.41 71.76 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.917 -0.583 . . . . 75.53 110.221 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.13 34.39 7.62 Favored Glycine 0 CA--C 1.508 -0.389 0 N-CA-C 110.816 -0.913 . . . . 75.21 110.816 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 30' ' ' THR . 44.4 t -106.72 154.18 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.949 -0.626 . . . . 71.14 110.021 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.412 ' O ' HG12 ' A' ' 29' ' ' VAL . 13.5 t -118.8 177.81 4.71 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.071 -0.714 . . . . 70.03 109.071 172.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 t30 64.47 47.59 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.676 0.751 . . . . 55.35 109.419 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 p -113.86 149.43 35.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.598 -0.728 . . . . 73.14 110.11 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -143.25 156.37 44.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 53.04 109.689 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.59 138.55 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.692 0.282 . . . . 62.33 110.523 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 . . . . . 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.408 . . . . 65.43 110.366 -179.532 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.234 0.26 0 N-CA-C 109.847 -0.427 . . . . 64.24 109.847 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 12.2 pt-20 -132.13 163.42 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 74.4 110.583 -177.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.4 t -150.31 130.95 13.98 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.02 -0.733 . . . . 75.04 109.02 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.67 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 11.3 t70 -113.03 101.2 9.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.081 -0.711 . . . . 64.31 109.081 -178.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.582 HG23 ' SG ' ' A' ' 32' ' ' CYS . 7.6 p -113.39 132.21 62.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 114.971 -1.013 . . . . 70.25 109.922 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.7 t30 66.22 4.39 3.13 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.974 -0.557 . . . . 64.01 111.156 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.45 -11.29 33.26 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.214 -0.517 . . . . 73.44 112.548 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' ASP . 54.3 mt-10 -101.93 148.58 25.16 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.988 -0.375 . . . . 73.51 109.988 178.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 30.8 m -113.01 117.26 31.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.367 0.603 . . . . 53.5 111.174 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -113.81 177.59 4.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.097 -0.956 . . . . 73.35 109.181 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 41.3 p -113.77 134.13 54.95 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.944 -0.391 . . . . 65.44 109.944 177.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.74 158.54 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 70.33 110.884 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.2 p -65.38 -43.86 89.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.833 -0.621 . . . . 74.11 111.004 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -152.42 169.14 23.3 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.422 0.63 . . . . 53.12 111.616 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 t -58.83 -40.64 84.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.503 -0.771 . . . . 42.41 110.12 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.62 -31.14 72.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.776 -0.647 . . . . 73.31 110.546 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -70.41 -37.79 74.52 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.476 -0.564 . . . . 73.35 109.476 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -57.39 -60.48 3.58 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.873 -0.603 . . . . 53.34 110.833 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.3 -40.34 85.85 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.877 0.37 . . . . 73.34 110.95 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -54.12 -49.95 68.0 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.82 -0.627 . . . . 72.43 110.401 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.28 -43.54 96.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 75.22 110.395 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.1 m -56.8 -56.78 17.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 54.34 110.86 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.85 -31.9 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 73.1 110.439 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -67.66 -48.22 67.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 75.32 110.51 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -76.0 -14.31 60.23 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.084 -0.507 . . . . 73.24 110.844 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 29.17 35.12 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 116.062 -0.517 . . . . 74.22 112.106 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.39 139.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.751 -0.462 . . . . 64.23 109.751 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 44.9 p -97.43 -28.39 14.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.751 0.31 . . . . 62.44 111.577 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -105.7 118.87 37.68 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.06 0.457 . . . . 72.5 111.276 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.67 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 61.5 m -142.06 164.83 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.13 -0.941 . . . . 74.13 109.131 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 10.5 ttm180 -131.67 127.48 37.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.733 -0.469 . . . . 72.12 109.733 175.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.83 133.61 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.957 0.408 . . . . 73.13 111.365 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 27.1 t-80 . . . . . 0 C--N 1.333 -0.127 0 CA-C-N 115.761 -0.654 . . . . 75.3 109.534 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--O 1.231 0.112 0 N-CA-C 109.871 -0.418 . . . . 75.53 109.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.476 ' HG2' HG22 ' A' ' 13' ' ' THR . 42.4 mt-10 -113.57 158.15 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.178 -0.465 . . . . 64.54 109.816 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.455 ' SG ' HG22 ' A' ' 14' ' ' VAL . 87.3 m -147.31 165.92 28.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.389 -0.369 . . . . 74.42 110.852 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.3 t70 -141.47 151.28 43.22 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.455 -0.572 . . . . 72.54 109.455 177.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.617 HG22 ' SG ' ' A' ' 24' ' ' CYS . 53.9 t -141.03 99.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.998 -0.742 . . . . 74.2 108.998 -177.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 56.35 10.09 0.61 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.039 0.535 . . . . 74.53 112.278 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.55 -32.86 2.34 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 120.809 -0.71 . . . . 72.34 112.906 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -83.8 142.25 30.79 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 110.17 -0.308 . . . . 75.53 110.17 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.9 m -113.48 133.34 55.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.963 0.411 . . . . 61.11 111.277 -173.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -128.63 178.92 5.98 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.662 -0.699 . . . . 71.15 110.048 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.476 HG22 ' HG2' ' A' ' 4' ' ' GLU . 19.5 p -133.48 135.71 44.65 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.215 -0.291 . . . . 63.34 110.215 174.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' A' ' 20' ' ' CYS . 27.0 m -132.6 170.61 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 71.41 111.134 -176.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.555 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 37.0 t -66.04 -48.41 71.18 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.105 -0.498 . . . . 74.21 110.695 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.6 p -153.54 172.74 16.7 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.378 -0.374 . . . . 70.15 110.778 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 p -56.55 -33.54 66.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 65.35 110.682 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.31 -58.01 10.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.744 -0.662 . . . . 53.12 110.04 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.555 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 19.8 mm-40 -58.43 -33.08 69.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.274 -0.875 . . . . 64.13 110.827 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.786 ' SG ' HG22 ' A' ' 34' ' ' VAL . 9.4 t -62.66 -55.71 24.38 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.658 -0.701 . . . . 72.51 110.225 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 81.6 mm-40 -54.84 -51.4 65.98 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.59 -0.732 . . . . 75.34 109.789 177.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -50.57 -45.15 57.02 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.32 -0.4 . . . . 75.25 110.954 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.3 tp -61.25 -61.56 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 64.2 110.736 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.617 ' SG ' HG22 ' A' ' 7' ' ' VAL . 72.6 m -60.72 -43.24 98.1 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 116.477 -0.329 . . . . 70.11 111.846 -174.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 20.0 mmt180 -66.72 -41.29 88.17 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 110.145 -0.317 . . . . 62.32 110.145 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.3 -41.14 97.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.471 -0.331 . . . . 63.34 110.413 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 93.8 mt -61.5 -35.09 76.72 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.416 -0.587 . . . . 60.04 109.416 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.39 23.64 9.43 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.557 -0.747 . . . . 43.13 112.001 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.74 116.89 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.848 -0.427 . . . . 64.12 109.848 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.0 m -75.28 -38.33 60.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.955 -0.566 . . . . 60.35 110.348 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -70.97 84.82 0.69 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.661 0.743 . . . . 73.21 109.605 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t -136.51 162.28 33.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.507 -1.224 . . . . 43.3 108.606 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 38.2 ttm180 -143.55 143.11 31.39 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.402 -0.222 . . . . 75.44 110.402 -175.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.786 HG22 ' SG ' ' A' ' 20' ' ' CYS . 44.7 t -116.61 140.49 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.413 -0.358 . . . . 75.22 110.486 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--O 1.222 -0.372 0 N-CA-C 109.697 -0.482 . . . . 64.22 109.697 177.108 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.234 0.256 0 CA-C-O 121.497 0.665 . . . . 42.01 110.743 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 41.3 mt-10 -132.98 174.26 10.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.249 -0.887 . . . . 64.33 109.869 -177.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 t -149.05 133.39 17.48 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.517 -0.92 . . . . 70.25 108.517 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 7.1 m-20 -113.3 104.35 12.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.169 0.509 . . . . 71.54 111.014 -172.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.512 HG22 ' SG ' ' A' ' 24' ' ' CYS . 56.5 t -113.13 110.54 32.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.628 -0.715 . . . . 75.55 109.871 -175.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.8 t30 59.41 21.16 9.5 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.446 0.641 . . . . 75.11 110.877 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.62 -19.5 47.39 Favored Glycine 0 C--N 1.329 0.139 0 C-N-CA 121.172 -0.537 . . . . 60.3 112.316 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.93 143.61 41.54 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.425 -0.583 . . . . 61.34 109.425 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.6 m -113.42 119.39 37.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.138 0.494 . . . . 50.41 110.774 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -113.7 168.27 9.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.589 -0.732 . . . . 74.42 109.108 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 1.5 p -113.55 134.99 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 70.44 110.606 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.526 HG21 ' HB2' ' A' ' 20' ' ' CYS . 26.7 m -138.16 168.03 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 72.32 110.476 -177.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.1 m -63.44 -46.44 86.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.911 -0.586 . . . . 55.14 110.946 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 p -169.15 -174.55 2.04 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.32 -0.4 . . . . 55.34 110.45 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 m -50.47 -40.35 50.58 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.029 -0.532 . . . . 75.33 110.88 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -50.72 -55.37 16.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.319 -0.855 . . . . 65.02 110.776 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.54 -27.99 58.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.471 -0.786 . . . . 73.23 111.264 -174.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.526 ' HB2' HG21 ' A' ' 14' ' ' VAL . 35.2 t -60.05 -59.6 5.17 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 109.431 -0.581 . . . . 52.42 109.431 174.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 45.5 mt-10 -57.92 -43.24 86.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.592 -0.731 . . . . 74.55 110.309 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 22' ' ' ARG . 45.3 ttp180 -59.2 -41.31 88.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.421 -0.354 . . . . 72.13 111.137 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 57.2 tp -64.34 -48.49 75.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.015 0.436 . . . . 63.34 110.114 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.512 ' SG ' HG22 ' A' ' 7' ' ' VAL . 55.7 m -63.97 -39.05 93.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.881 -0.6 . . . . 74.34 111.048 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 84.9 mtp180 -65.33 -38.83 91.35 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.797 -0.446 . . . . 75.24 109.797 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -59.87 -46.7 88.47 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.693 -0.685 . . . . 60.13 109.714 175.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 85.9 mt -68.92 -21.61 64.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.476 -0.784 . . . . 71.42 110.261 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.42 44.06 22.9 Favored Glycine 0 C--N 1.334 0.448 0 N-CA-C 111.096 -0.801 . . . . 73.41 111.096 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.492 HG11 HG13 ' A' ' 7' ' ' VAL . 13.3 p -129.82 131.71 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.405 -0.398 . . . . 44.24 110.628 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.6 p -86.9 -29.71 21.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.948 0.404 . . . . 71.24 110.029 176.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -69.15 78.08 0.35 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.687 0.756 . . . . 75.44 109.615 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 8.9 t -150.19 148.04 28.45 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.401 -1.272 . . . . 75.11 108.743 -174.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 30.9 mtp180 -138.76 162.53 34.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.411 -0.959 . . . . 64.14 108.411 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.1 t -112.77 117.11 54.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.152 -0.684 . . . . 72.41 109.152 -176.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 3.7 t-160 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.865 -0.607 . . . . 74.23 110.407 -171.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 16' ' ' SER . 15.0 m . . . . . 0 C--O 1.236 0.35 0 CA-C-O 120.786 0.327 . . . . 72.53 110.706 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -113.13 135.01 54.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.749 -0.834 . . . . 71.44 108.749 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 88.5 m -133.91 147.11 51.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.987 0.422 . . . . 61.43 111.425 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.465 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 18.2 t70 -113.85 151.41 32.17 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.935 -0.765 . . . . 62.21 108.935 173.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.415 HG13 HG11 ' A' ' 29' ' ' VAL . 50.2 t -143.13 99.73 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.904 -0.776 . . . . 72.02 108.904 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 31' ' ' ASN . 11.8 m120 57.82 19.62 5.85 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.179 0.437 . . . . 73.45 112.179 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.56 7.53 34.19 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.69 -0.767 . . . . 61.24 113.084 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -112.8 140.53 47.51 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.465 -0.568 . . . . 74.12 109.465 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.0 m -113.42 124.3 52.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.217 0.532 . . . . 72.32 111.694 -170.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -134.36 162.19 32.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.384 -0.825 . . . . 75.33 109.422 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.1 p -113.72 140.12 48.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.633 0.254 . . . . 72.43 110.352 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' A' ' 20' ' ' CYS . 27.0 m -125.96 160.1 33.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.219 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 t -69.53 -24.74 63.78 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.608 -0.269 . . . . 51.11 111.536 -176.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.68 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 22.3 t -166.81 169.69 13.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.729 0.299 . . . . 74.12 110.928 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -63.33 -37.45 87.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.068 -0.515 . . . . 63.43 110.268 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 16.6 tp10 -58.78 -50.49 73.75 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.369 -0.604 . . . . 72.21 109.369 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -56.81 -35.63 68.99 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.781 -0.645 . . . . 73.23 110.947 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.822 ' SG ' HG22 ' A' ' 34' ' ' VAL . 11.7 t -59.05 -49.27 78.52 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 109.717 -0.475 . . . . 64.04 109.717 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 57.8 mm-40 -56.48 -50.25 72.31 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-N 115.627 -0.715 . . . . 63.41 110.254 175.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 29.9 mmt85 -50.85 -56.57 11.57 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.206 -0.452 . . . . 63.12 110.729 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.55 -50.66 72.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 73.32 111.289 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.5 -50.41 73.84 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.129 -0.487 . . . . 61.34 110.941 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 24.7 mmt180 -71.0 -28.6 64.54 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.429 -0.351 . . . . 64.34 110.505 -177.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 8.9 tmtt? -68.26 -45.81 72.13 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.312 -0.625 . . . . 52.14 109.312 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.55 -30.61 68.45 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.921 -0.581 . . . . 75.33 109.84 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.06 31.48 7.63 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.798 -0.637 . . . . 73.21 111.954 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG11 HG13 ' A' ' 7' ' ' VAL . 57.8 t -98.76 143.86 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.092 -0.336 . . . . 75.14 110.092 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.2 m -101.12 -32.88 10.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.09 0.472 . . . . 74.53 110.528 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.471 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 23.5 t-20 -93.21 83.6 4.66 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.234 0.54 . . . . 43.33 110.962 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 67.5 m -126.61 135.67 51.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.375 -0.829 . . . . 73.14 108.787 174.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -113.95 132.4 55.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.872 -0.418 . . . . 72.2 109.872 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.822 HG22 ' SG ' ' A' ' 20' ' ' CYS . 40.4 t -113.79 133.69 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.989 0.423 . . . . 71.02 111.581 -175.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 115.511 -0.768 . . . . 65.4 109.024 171.488 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.1 m . . . . . 0 C--O 1.234 0.26 0 N-CA-C 109.337 -0.616 . . . . 73.14 109.337 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.57 172.55 6.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.199 0.524 . . . . 72.1 110.693 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.1 t -144.15 140.61 29.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.333 -0.849 . . . . 71.32 109.278 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 9.9 t70 -113.79 133.25 55.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.919 -0.771 . . . . 71.22 108.919 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.8 t -137.93 102.47 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.195 -0.668 . . . . 44.32 109.195 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 61.68 15.97 7.38 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.048 0.539 . . . . 72.44 111.153 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.22 -4.82 31.64 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.013 -0.613 . . . . 65.55 112.931 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 6' ' ' ASP . 12.6 tp10 -93.06 148.31 22.11 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.957 -0.386 . . . . 74.32 109.957 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.0 m -113.86 117.15 30.61 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.243 0.544 . . . . 73.2 111.67 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -114.06 175.53 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.992 -0.744 . . . . 72.43 108.992 172.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 p -113.92 136.84 52.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.745 0.307 . . . . 65.02 110.682 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 20' ' ' CYS . 23.5 m -137.59 168.6 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 62.21 111.015 -176.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.485 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 4.6 m -62.23 -39.01 91.38 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.924 -0.58 . . . . 70.34 110.935 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.2 t -172.68 177.75 2.84 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.77 -0.65 . . . . 74.5 109.473 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -55.41 -39.63 70.46 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.024 0.44 . . . . 75.12 110.735 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 2.1 mp0 -55.72 -48.41 75.22 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.663 -0.698 . . . . 65.45 109.647 176.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' CD ' HH21 ' A' ' 22' ' ' ARG . 7.2 tp10 -62.34 -36.85 83.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.19 -0.914 . . . . 74.01 110.134 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.523 ' HB2' HG21 ' A' ' 14' ' ' VAL . 37.7 t -60.98 -45.86 93.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.975 -0.557 . . . . 64.45 110.617 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -66.15 -42.89 88.42 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.575 -0.528 . . . . 74.11 109.575 -177.383 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.514 HH21 ' CD ' ' A' ' 19' ' ' GLU . 20.8 mtm180 -60.89 -44.83 96.56 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 116.261 -0.427 . . . . 54.12 111.05 177.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.06 -43.91 97.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.024 0.44 . . . . 74.41 110.144 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.0 t -56.32 -47.67 78.28 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.772 -0.649 . . . . 73.44 110.079 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 2.8 mmp_? -67.55 -29.45 68.83 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.635 -0.711 . . . . 75.33 111.162 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 55.5 mmtt -67.97 -46.88 70.15 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.839 0.352 . . . . 55.41 110.535 176.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.92 -29.76 70.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.955 -0.566 . . . . 71.34 109.654 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.69 19.17 30.24 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 115.578 -0.737 . . . . 73.11 111.623 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.73 154.77 3.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 122.701 0.4 . . . . 64.42 110.574 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.3 p -111.9 -33.61 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.191 0.519 . . . . 53.35 109.878 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -74.2 89.65 2.03 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.636 -0.711 . . . . 72.33 110.004 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 83.0 m -144.78 157.6 44.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.228 -0.442 . . . . 75.33 109.889 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 17.7 ttp180 -149.16 156.3 41.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.25 -0.648 . . . . 71.21 109.25 -175.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.8 m -113.69 149.57 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.984 0.421 . . . . 63.44 111.726 -173.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 C--N 1.332 -0.169 0 N-CA-C 109.238 -0.653 . . . . 73.45 109.238 176.071 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.233 0.235 0 N-CA-C 109.346 -0.613 . . . . 74.22 109.346 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -125.84 146.63 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 122.141 0.176 . . . . 71.02 110.764 -174.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 85.8 m -140.43 144.22 36.01 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.788 0.328 . . . . 62.21 111.706 -176.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.542 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 16.8 t70 -113.46 109.2 18.29 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.586 -0.734 . . . . 71.33 109.106 175.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.68 HG12 ' HB3' ' A' ' 32' ' ' CYS . 4.2 m -113.33 101.51 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 123.192 0.597 . . . . 71.32 110.252 -178.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.448 ' HB2' HG13 ' A' ' 29' ' ' VAL . 66.0 t30 64.14 19.67 11.86 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.549 -0.751 . . . . 71.33 110.891 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.12 -14.73 36.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.218 -0.515 . . . . 53.11 112.366 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.624 ' HB2' HG23 ' A' ' 7' ' ' VAL . 46.5 mm-40 -82.95 140.2 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.4 -0.592 . . . . 71.35 109.4 175.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.9 m -113.77 109.56 18.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.909 0.385 . . . . 65.51 110.32 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -120.06 167.47 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 73.52 109.823 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -113.75 132.98 55.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.831 0.348 . . . . 73.35 110.601 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 20' ' ' CYS . 30.7 m -121.4 171.33 10.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.011 -0.541 . . . . 74.41 110.951 -176.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 m -86.95 -23.13 25.21 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.146 -0.479 . . . . 72.31 111.799 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -166.73 171.83 11.12 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.581 0.229 . . . . 71.15 110.441 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.479 ' HA ' HG21 ' A' ' 34' ' ' VAL . 21.8 p -59.05 -43.97 91.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.54 109.68 174.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.62 -47.42 79.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.414 -0.812 . . . . 73.32 110.35 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -62.27 -32.67 73.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.769 -0.65 . . . . 64.41 110.261 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.561 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 10.7 t -67.39 -46.97 71.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.202 -0.453 . . . . 64.31 109.966 178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.481 ' O ' ' HD2' ' A' ' 25' ' ' ARG . 18.9 mm-40 -58.04 -42.74 86.01 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.792 -0.64 . . . . 71.51 109.94 175.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -61.11 -47.76 84.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.234 -0.893 . . . . 72.11 109.9 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.07 -39.72 94.69 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.607 -0.724 . . . . 74.21 110.701 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.654 ' SG ' ' NH2' ' A' ' 25' ' ' ARG . 35.1 t -61.44 -47.77 84.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.073 -0.512 . . . . 63.12 110.166 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.654 ' NH2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.88 -39.54 90.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.69 0.281 . . . . 75.51 110.599 175.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -56.5 -47.96 78.17 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.049 -0.523 . . . . 72.23 110.902 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.518 ' HB2' HG23 ' A' ' 29' ' ' VAL . 82.8 mt -83.81 -22.12 31.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.471 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.12 50.24 13.4 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.055 -0.818 . . . . 75.25 111.055 -177.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 27' ' ' LEU . 61.4 t -88.19 145.21 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 75.03 110.644 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p -75.5 -63.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.84 -0.618 . . . . 52.43 110.441 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -103.62 105.96 16.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.413 -0.812 . . . . 73.35 110.945 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.68 ' HB3' HG12 ' A' ' 7' ' ' VAL . 2.2 p -124.88 120.33 31.36 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.741 -0.466 . . . . 65.52 109.741 174.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 34' ' ' VAL . 19.5 tpt85 -113.82 130.81 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.37 -0.604 . . . . 62.11 109.37 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.561 ' HB ' ' SG ' ' A' ' 20' ' ' CYS . 7.3 p -113.67 140.38 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.254 -0.276 . . . . 53.1 110.254 -177.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.4 p80 . . . . . 0 C--N 1.328 -0.328 0 N-CA-C 109.397 -0.594 . . . . 72.15 109.397 177.064 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.488 ' HB2' HG23 ' A' ' 14' ' ' VAL . 73.5 m . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.959 0.409 . . . . 74.44 110.258 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.71 123.4 49.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.766 -0.827 . . . . 74.35 108.766 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.8 m -119.67 144.21 47.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.446 0.906 . . . . 63.44 113.446 -166.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 8.1 t70 -113.63 101.31 9.21 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.698 -1.137 . . . . 63.4 108.336 172.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.0 t -113.71 110.72 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 122.983 0.513 . . . . 74.22 110.38 -175.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 t30 63.17 22.2 13.25 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.441 0.638 . . . . 71.55 110.324 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 -17.11 59.27 Favored Glycine 0 C--N 1.33 0.23 0 CA-C-N 115.949 -0.568 . . . . 75.04 111.956 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.26 146.22 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.797 -0.445 . . . . 71.1 109.797 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 m -113.73 113.55 25.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.861 0.363 . . . . 65.24 110.359 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -132.17 161.37 33.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.048 -0.524 . . . . 74.43 110.34 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 p -113.66 133.06 55.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.302 -0.408 . . . . 51.44 110.063 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 20' ' ' CYS . 32.4 m -126.08 165.43 24.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.945 -0.571 . . . . 54.12 110.745 -174.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m -75.81 -38.19 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 75.23 111.668 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 m -146.72 158.45 43.91 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.886 0.374 . . . . 72.24 110.958 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 11.2 p -56.84 -49.8 74.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.939 -0.573 . . . . 51.31 110.739 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -57.6 -41.96 82.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.786 -0.643 . . . . 72.45 110.788 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.59 -36.88 81.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.118 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.536 ' HB2' HG21 ' A' ' 14' ' ' VAL . 28.3 t -56.93 -47.38 80.74 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.269 0.557 . . . . 71.25 109.925 175.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.55 -39.8 95.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.468 -0.787 . . . . 75.51 110.345 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -62.6 -46.25 89.15 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 116.079 -0.51 . . . . 75.55 110.743 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.06 -42.01 99.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.039 0.447 . . . . 71.51 109.914 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.3 t -60.16 -47.54 85.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.762 -0.653 . . . . 64.21 110.261 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -26.76 62.37 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.27 0.557 . . . . 64.5 110.191 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -66.86 -45.05 79.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.557 -0.747 . . . . 75.44 109.237 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.18 -24.5 57.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 75.41 110.337 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.67 42.99 6.63 Favored Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.797 -0.638 . . . . 75.1 111.971 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -112.22 151.39 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 122.487 0.315 . . . . 54.23 110.176 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 p -103.55 -33.56 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.215 0.531 . . . . 61.22 110.531 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -88.69 97.1 10.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 73.44 110.584 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 3.1 p -151.19 119.09 6.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.557 -0.747 . . . . 43.34 109.046 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -113.64 135.21 54.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.554 -0.535 . . . . 73.42 109.554 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.0 136.31 52.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.039 0.447 . . . . 71.55 111.476 -174.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 108.941 -0.763 . . . . 73.31 108.941 173.794 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HB2' HG23 ' A' ' 14' ' ' VAL . 97.5 m . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.739 0.304 . . . . 74.54 110.777 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.501 ' HB2' ' HB2' ' A' ' 35' ' ' HIS . 36.9 mt-10 -115.29 125.35 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.63 -0.507 . . . . 72.12 109.63 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 11' ' ' THR . 80.0 m -113.62 138.45 50.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.803 0.335 . . . . 70.53 111.176 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.51 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 21.6 t70 -113.61 108.48 17.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.721 -0.672 . . . . 70.24 109.769 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 4.5 m -113.01 106.64 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 123.737 0.815 . . . . 63.53 110.629 -178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 67.49 0.81 2.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.882 -0.599 . . . . 64.03 111.747 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.88 -14.06 7.57 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.128 -0.558 . . . . 53.14 111.851 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -88.08 134.82 33.66 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.651 -0.5 . . . . 63.32 109.651 174.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 96.7 m -113.78 115.1 27.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.388 0.613 . . . . 53.2 110.706 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -113.85 172.3 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.436 -0.802 . . . . 71.12 109.448 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -116.35 132.6 56.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 72.44 111.058 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG11 ' HA ' ' A' ' 20' ' ' CYS . 19.4 m -124.91 163.27 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.881 -0.599 . . . . 70.51 110.535 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.8 t -84.01 -12.77 54.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 52.2 111.819 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.6 t -174.19 173.11 3.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.643 0.259 . . . . 75.52 110.889 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 t -62.44 -43.55 98.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.775 -0.648 . . . . 73.43 110.331 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 19' ' ' GLU . 14.9 pt-20 -60.49 -43.28 97.18 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.486 -0.561 . . . . 75.24 109.486 178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 12.3 tp10 -62.06 -35.14 77.74 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.329 -0.851 . . . . 72.43 109.729 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.48 ' HA ' HG11 ' A' ' 14' ' ' VAL . 17.7 t -63.99 -58.05 7.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.045 -0.98 . . . . 54.4 110.44 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.09 -36.8 75.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.517 -0.765 . . . . 74.3 110.496 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -59.72 -54.39 46.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.194 -0.457 . . . . 71.04 110.685 175.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.21 -46.46 90.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.323 -0.399 . . . . 73.24 110.997 -177.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.1 m -59.13 -44.34 92.04 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.098 -0.501 . . . . 74.34 110.713 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -75.94 -21.77 56.67 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.741 0.305 . . . . 73.31 110.9 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -68.2 -45.05 74.46 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 108.758 -0.83 . . . . 71.21 108.758 176.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.1 mt -70.15 -33.31 71.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.931 -0.577 . . . . 75.14 109.693 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.19 23.58 16.78 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.654 -0.703 . . . . 43.44 112.052 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -103.5 121.04 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.16 -0.311 . . . . 61.22 110.16 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -80.44 -28.4 37.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.959 0.409 . . . . 63.12 110.327 177.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.5 m-20 -72.92 74.15 1.15 Allowed 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.284 -0.635 . . . . 71.15 109.284 175.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -122.92 123.14 40.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.301 -0.863 . . . . 73.41 109.502 -176.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 12.5 tpp180 -113.82 143.07 45.26 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.088 -0.708 . . . . 72.11 109.088 -177.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.44 HG22 ' SG ' ' A' ' 20' ' ' CYS . 59.4 t -113.56 121.77 66.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.203 0.525 . . . . 74.32 111.728 -173.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 7.2 m-70 . . . . . 0 C--N 1.33 -0.275 0 N-CA-C 107.656 -1.239 . . . . 74.31 107.656 171.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m . . . . . 0 C--O 1.233 0.204 0 N-CA-C 109.481 -0.563 . . . . 73.23 109.481 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 12.9 pt-20 -113.84 166.12 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.826 0.346 . . . . 73.43 110.158 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -143.87 130.79 20.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.82 -0.807 . . . . 74.2 108.82 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.646 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 32.2 t70 -113.28 106.27 14.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.073 0.463 . . . . 74.0 110.426 -175.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.62 ' HB ' HG21 ' A' ' 29' ' ' VAL . 3.2 m -113.75 108.6 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.059 -0.973 . . . . 74.54 110.833 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 63.17 24.84 14.58 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.283 0.563 . . . . 73.41 111.199 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.88 -12.5 65.77 Favored Glycine 0 C--O 1.236 0.235 0 C-N-CA 121.014 -0.612 . . . . 41.35 111.846 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -84.87 127.95 34.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.917 -0.772 . . . . 61.22 108.917 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.4 m -113.21 111.31 21.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.158 0.504 . . . . 64.31 110.29 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -113.75 173.62 6.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.319 -0.855 . . . . 73.51 109.378 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -113.64 133.61 55.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.127 0.489 . . . . 73.43 110.951 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 20' ' ' CYS . 30.8 m -130.44 166.94 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.517 -0.765 . . . . 75.42 110.431 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.496 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 32.4 t -66.67 -40.57 88.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.638 0.256 . . . . 72.41 111.108 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -161.7 176.72 10.64 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.711 0.291 . . . . 73.51 110.487 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 p -56.45 -42.0 77.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 71.51 110.753 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 35.8 mt-10 -63.28 -37.86 88.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.908 -0.587 . . . . 71.14 110.407 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.496 ' HG2' ' H ' ' A' ' 15' ' ' SER . 6.1 tp10 -61.67 -40.51 95.22 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.805 -0.634 . . . . 74.24 109.417 175.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.466 ' HB2' HG21 ' A' ' 14' ' ' VAL . 29.4 t -61.65 -39.25 90.68 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.944 -0.571 . . . . 73.12 110.448 175.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 42.7 mt-10 -58.53 -48.98 79.05 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 110.006 -0.368 . . . . 61.44 110.006 176.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 96.2 mtt180 -57.19 -46.11 83.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.623 -0.717 . . . . 74.23 110.81 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.94 -46.92 87.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.052 -0.522 . . . . 74.44 109.983 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.6 t -56.47 -46.28 80.48 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.645 -0.707 . . . . 71.04 110.931 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 36.4 mmt180 -68.25 -47.7 67.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.738 -0.664 . . . . 62.4 110.564 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.14 -35.45 71.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.568 -0.742 . . . . 72.4 110.899 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.468 ' HB2' HG23 ' A' ' 29' ' ' VAL . 80.1 mt -90.9 -23.51 20.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 70.43 110.891 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.2 38.7 46.15 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.115 -0.564 . . . . 73.13 112.14 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.62 HG21 ' HB ' ' A' ' 7' ' ' VAL . 61.8 t -83.94 148.02 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.475 0.178 . . . . 73.12 110.897 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 p -80.35 -54.92 5.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.097 0.475 . . . . 73.31 110.756 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -98.94 105.59 17.75 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.888 -0.597 . . . . 73.23 110.817 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.646 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 4.5 p -131.51 118.55 20.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.551 -0.537 . . . . 73.21 109.551 174.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -123.45 168.58 12.37 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.653 -0.249 . . . . 72.51 110.359 -175.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -125.17 155.47 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.782 0.325 . . . . 73.22 111.289 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.511 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 38.7 t-80 . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 109.131 -0.692 . . . . 74.31 109.131 175.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' HIS . 61.0 m . . . . . 0 C--O 1.238 0.48 0 CA-C-O 120.849 0.356 . . . . 61.15 111.759 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -113.38 148.53 35.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.284 0.564 . . . . 74.34 112.081 -171.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -127.99 145.65 50.91 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.001 -1.0 . . . . 73.32 108.983 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 23.8 t70 -136.82 100.2 4.25 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.602 0.361 . . . . 74.54 110.485 -171.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.486 HG22 ' SG ' ' A' ' 24' ' ' CYS . 40.4 t -113.83 114.36 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.293 -0.412 . . . . 75.42 110.39 -175.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.486 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 92.3 m-20 60.56 21.62 11.41 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.136 -0.484 . . . . 62.25 111.315 -179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.18 -12.07 70.57 Favored Glycine 0 C--O 1.235 0.196 0 C-N-CA 121.041 -0.599 . . . . 40.24 112.042 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -81.92 155.64 25.18 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.285 -0.635 . . . . 74.43 109.285 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -113.28 125.62 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.34 0.59 . . . . 72.12 111.704 -170.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -124.29 152.28 43.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.181 -0.918 . . . . 75.5 108.686 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.7 139.07 49.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.723 0.297 . . . . 75.41 110.266 177.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' A' ' 20' ' ' CYS . 20.5 m -141.27 166.16 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.774 -0.648 . . . . 75.34 110.199 -176.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 t -90.49 -20.44 22.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.361 -0.381 . . . . 61.44 110.078 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.587 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 12.8 m -146.18 147.23 31.26 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 121.908 0.861 . . . . 72.4 112.108 -177.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.824 ' HA ' HG21 ' A' ' 34' ' ' VAL . 11.9 p -52.52 -53.27 48.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.64 -1.164 . . . . 75.12 110.175 175.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.46 -33.29 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.57 -0.741 . . . . 75.44 111.725 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HG3' ' HB2' ' A' ' 16' ' ' SER . 83.5 mt-10 -62.38 -52.29 64.2 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.518 -0.549 . . . . 73.51 109.518 175.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.48 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 4.7 t -53.65 -52.37 60.16 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.689 -0.687 . . . . 62.52 110.704 175.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 17' ' ' SER . 43.1 mt-10 -60.53 -38.06 83.22 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.916 -0.584 . . . . 71.1 111.092 -177.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.4 tpp180 -64.97 -45.29 86.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 71.24 110.14 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 64.7 tp -58.77 -50.95 72.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.847 -0.615 . . . . 60.55 109.827 177.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.486 ' SG ' HG22 ' A' ' 7' ' ' VAL . 62.2 m -60.46 -44.04 96.26 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.807 -0.633 . . . . 71.42 111.442 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -69.79 -31.17 68.94 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.703 -0.48 . . . . 74.11 109.703 -178.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -65.7 -52.07 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 63.15 109.924 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 81.4 mt -61.23 -32.18 71.97 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.807 -0.633 . . . . 61.24 110.078 177.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.46 36.49 8.71 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.542 -0.754 . . . . 63.11 111.822 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.04 123.92 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 122.246 0.219 . . . . 72.31 110.613 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 m -73.65 -38.31 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 65.04 110.977 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.486 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 78.2 m-20 -77.41 91.47 3.88 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.151 0.501 . . . . 71.43 110.388 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 32.5 t -152.61 132.57 13.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.54 -0.755 . . . . 60.1 109.209 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.525 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.1 mtp180 -134.21 162.39 32.27 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.665 -0.865 . . . . 74.02 108.665 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.824 HG21 ' HA ' ' A' ' 17' ' ' SER . 7.5 p -153.95 130.71 2.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.815 0.34 . . . . 74.51 110.636 -179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 61.5 t60 . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 108.103 -1.073 . . . . 71.32 108.103 174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.318 0.58 . . . . 74.32 111.532 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.497 ' HG2' HG22 ' A' ' 13' ' ' THR . 39.8 mt-10 -113.74 156.93 22.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.014 -0.994 . . . . 73.51 108.376 176.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.0 m -139.46 145.87 39.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.67 0.271 . . . . 53.24 110.788 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.526 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 21.1 m-20 -112.84 107.11 15.59 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 123.141 0.577 . . . . 65.53 109.734 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 96.4 t -112.79 112.47 40.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 123.318 0.647 . . . . 63.41 109.588 -177.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 55.24 26.0 7.98 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.798 -0.637 . . . . 74.2 111.27 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.71 -15.98 56.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.23 -0.509 . . . . 74.42 113.138 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -91.13 149.22 21.89 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.623 -0.51 . . . . 70.12 109.623 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.1 m -113.45 118.67 35.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.175 0.512 . . . . 74.45 111.22 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -115.35 165.43 12.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.659 -0.701 . . . . 72.41 109.833 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.497 HG22 ' HG2' ' A' ' 4' ' ' GLU . 11.1 p -113.5 132.17 55.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.048 0.451 . . . . 74.21 109.994 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 20' ' ' CYS . 12.6 m -122.06 161.31 22.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.496 -0.775 . . . . 75.23 110.723 -175.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.2 t -64.87 -47.11 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 42.24 111.054 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.424 ' H ' ' HB3' ' A' ' 19' ' ' GLU . 16.6 m -153.66 174.26 14.72 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.858 0.361 . . . . 43.05 111.053 -176.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.5 p -56.37 -57.38 12.53 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.807 -0.633 . . . . 64.31 110.583 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -49.56 -44.71 46.91 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.531 -0.759 . . . . 70.22 110.598 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' A' ' 16' ' ' SER . 9.9 tp10 -58.87 -42.28 89.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.623 -0.717 . . . . 73.51 110.524 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.531 ' HB2' HG21 ' A' ' 14' ' ' VAL . 34.6 t -57.9 -54.61 44.99 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.097 -0.501 . . . . 73.15 110.42 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -55.93 -43.11 77.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.468 -0.787 . . . . 74.42 110.604 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.521 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 46.9 mtp180 -64.55 -42.76 95.51 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 116.262 -0.426 . . . . 73.42 111.251 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.63 -52.28 66.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.091 0.472 . . . . 73.22 110.054 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.0 m -66.98 -38.22 85.66 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.775 -0.648 . . . . 75.23 111.386 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -68.27 -34.21 75.78 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.053 0.454 . . . . 72.45 109.809 179.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -69.88 -45.22 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.714 -0.676 . . . . 51.04 109.998 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.54 -21.3 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.599 . . . . 72.11 110.131 176.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.3 23.45 65.59 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.883 -0.599 . . . . 63.24 111.963 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.0 t -99.14 116.44 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 71.43 110.304 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.6 m -75.04 -31.38 61.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.758 -0.655 . . . . 73.41 110.555 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 79.4 m-20 -73.55 85.73 1.57 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.404 -0.591 . . . . 74.45 109.404 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 23.8 t -149.38 111.83 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.895 -0.593 . . . . 75.52 109.929 -175.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 29.7 mmm180 -113.67 165.05 12.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.44 -0.578 . . . . 65.05 109.44 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' SG ' ' A' ' 20' ' ' CYS . 53.6 t -126.63 146.95 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.647 0.26 . . . . 60.23 110.817 -176.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 . . . . . 0 C--N 1.33 -0.24 0 C-N-CA 122.881 0.472 . . . . 72.5 109.927 176.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 t . . . . . 0 CA--C 1.529 0.141 0 N-CA-C 108.399 -0.963 . . . . 62.11 108.399 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -113.26 171.51 7.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.136 0.494 . . . . 73.12 110.488 -175.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.428 ' SG ' HG21 ' A' ' 14' ' ' VAL . 67.9 m -145.45 171.38 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.886 -0.597 . . . . 54.2 110.62 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -134.31 145.67 49.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.577 -0.738 . . . . 65.03 109.514 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.773 HG13 HG11 ' A' ' 29' ' ' VAL . 78.1 t -141.85 99.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.605 -0.887 . . . . 63.24 108.605 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 65.15 -1.87 0.83 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.125 0.417 . . . . 72.4 112.125 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.48 -17.11 4.78 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.001 -0.618 . . . . 60.21 113.117 -176.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.66 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 14.6 pt-20 -92.98 157.7 16.18 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 117.249 0.524 . . . . 72.13 110.074 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -113.54 144.45 42.84 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.871 0.367 . . . . 55.3 111.651 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -137.82 167.45 21.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.921 -0.582 . . . . 54.35 109.681 175.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 p -114.39 134.24 55.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.578 -0.283 . . . . 54.53 110.658 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 ' SG ' ' A' ' 5' ' ' CYS . 31.4 m -133.08 173.27 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 71.52 110.601 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.652 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 29.8 t -86.95 -37.42 17.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 64.33 110.223 176.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 p -157.51 174.68 15.01 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.271 -0.422 . . . . 75.53 111.16 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -64.3 -29.15 70.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.075 -0.713 . . . . 63.32 109.075 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.02 -57.28 13.52 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.348 -0.842 . . . . 75.2 109.855 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.652 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 29.0 mm-40 -58.95 -37.49 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.23 -0.896 . . . . 63.12 110.369 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.12 -55.69 30.76 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.547 -0.752 . . . . 31.51 110.372 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 57.1 mm-40 -57.08 -51.09 70.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.796 -0.638 . . . . 71.21 110.21 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -50.54 -54.16 24.67 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.849 -0.614 . . . . 72.52 110.914 -177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.9 tp -58.99 -50.1 75.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.859 -0.61 . . . . 62.44 110.591 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.602 ' SG ' ' HB ' ' A' ' 29' ' ' VAL . 53.9 t -57.85 -49.54 76.32 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.833 -0.622 . . . . 51.42 111.438 -176.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 14.6 mmt180 -69.09 -35.27 76.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 74.54 110.431 -176.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -62.97 -44.5 95.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.837 0.351 . . . . 74.12 110.208 175.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 79.9 mt -70.69 -25.17 62.85 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.064 -0.517 . . . . 73.15 110.379 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.36 34.57 19.79 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.694 -0.685 . . . . 63.33 112.034 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.773 HG11 HG13 ' A' ' 7' ' ' VAL . 62.1 t -82.53 139.18 18.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.595 0.236 . . . . 73.23 110.559 -179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -81.07 -54.89 5.15 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.335 -0.393 . . . . 63.33 111.131 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -113.02 98.68 7.31 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.325 0.583 . . . . 75.11 111.199 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.3 p -135.89 137.8 41.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.459 -0.941 . . . . 70.24 108.459 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.875 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -127.78 177.66 6.67 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.599 0.238 . . . . 62.45 111.0 -176.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.2 p -125.88 139.95 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.956 0.408 . . . . 74.22 111.064 -176.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 108.298 -1.001 . . . . 54.11 108.298 173.562 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.112 -0.329 . . . . 73.41 110.112 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 34.4 Cg_endo -63.49 176.57 2.1 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.282 1.988 . . . . 62.41 111.636 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 17.5 t -93.28 149.32 21.31 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.818 -0.438 . . . . 73.53 109.818 -177.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -114.04 144.62 42.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.971 0.415 . . . . 74.24 110.373 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.6 t -130.24 129.02 42.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.28 -0.637 . . . . 72.11 109.28 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 29.1 t70 -113.48 103.76 11.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.176 0.512 . . . . 72.02 110.213 -175.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.642 HG22 ' SG ' ' A' ' 24' ' ' CYS . 9.6 t -113.18 124.2 69.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.88 -0.6 . . . . 53.22 109.762 -174.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.1 t30 68.99 2.17 3.47 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.123 -0.49 . . . . 64.22 111.301 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.85 -10.4 32.16 Favored Glycine 0 N--CA 1.453 -0.204 0 N-CA-C 111.86 -0.496 . . . . 62.44 111.86 -177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -95.13 149.9 20.79 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.788 -0.449 . . . . 72.42 109.788 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.3 m -113.21 128.04 56.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.343 0.592 . . . . 72.34 110.997 -172.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -125.59 168.2 14.02 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.154 -0.93 . . . . 61.1 109.287 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.3 p -113.72 139.0 49.45 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.251 -0.278 . . . . 64.4 110.251 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 20' ' ' CYS . 28.6 m -137.95 154.58 28.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.103 -0.498 . . . . 62.3 110.082 -179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.0 t -66.87 -39.8 87.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.283 -0.417 . . . . 72.24 110.902 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.693 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 37.4 m -140.02 157.11 46.17 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.015 0.436 . . . . 75.25 111.471 -175.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 20' ' ' CYS . 15.7 m -61.28 -34.79 75.77 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.974 -0.557 . . . . 71.15 110.442 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 2.3 pm0 -68.78 -31.77 71.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.687 -0.688 . . . . 52.01 110.162 177.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.693 ' HG2' ' HB2' ' A' ' 16' ' ' SER . 20.1 mm-40 -67.72 -38.75 84.02 Favored 'General case' 0 C--N 1.333 -0.116 0 N-CA-C 109.504 -0.554 . . . . 70.52 109.504 175.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HB2' HG21 ' A' ' 14' ' ' VAL . 2.9 t -55.46 -56.96 14.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.919 -0.582 . . . . 74.41 110.041 171.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -48.39 -53.66 16.87 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.692 -0.686 . . . . 73.21 110.932 178.316 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -59.7 -41.81 91.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.077 -0.511 . . . . 74.41 111.188 -178.434 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.1 tp -58.15 -48.39 80.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.158 0.504 . . . . 71.52 110.241 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.642 ' SG ' HG22 ' A' ' 7' ' ' VAL . 60.6 m -61.59 -36.4 80.58 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 115.571 -0.741 . . . . 72.12 110.867 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 15.3 mmt180 -67.1 -37.82 84.58 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.511 176.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.718 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.93 -39.31 87.31 Favored 'General case' 0 N--CA 1.439 -0.982 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.546 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -75.0 -25.94 59.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.773 -0.648 . . . . 60.3 110.062 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.28 41.0 27.28 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.764 -0.653 . . . . 61.12 111.754 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.43 128.96 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 110.14 -0.319 . . . . 70.14 110.14 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.7 p -77.11 -33.65 56.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 71.21 110.844 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -66.65 97.08 0.42 Allowed 'General case' 0 C--O 1.231 0.13 0 N-CA-C 109.235 -0.654 . . . . 72.02 109.235 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 23.2 t -155.12 128.08 8.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.807 -0.633 . . . . 73.45 109.625 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.53 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 39.5 mtp180 -128.9 164.29 23.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.033 -0.728 . . . . 70.14 109.033 -177.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.6 p -150.15 142.11 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.177 0.513 . . . . 51.54 111.702 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.6 p-80 -158.94 136.22 9.9 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.338 -0.986 . . . . 63.32 108.338 174.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 30.3 m -113.33 118.27 34.12 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.156 -0.313 . . . . 74.33 110.156 -173.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.878 -0.957 . . . . 55.21 112.797 -174.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.753 -0.462 . . . . 71.14 109.753 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.02 163.16 36.87 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.356 2.037 . . . . 71.32 111.467 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.3 m -132.21 174.65 10.0 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.19 -0.459 . . . . 65.32 109.931 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 14.4 pt-20 -113.55 160.26 18.7 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.675 -0.491 . . . . 75.12 109.675 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -137.76 135.03 35.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.296 -0.411 . . . . 63.43 109.991 -174.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.587 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 3.7 m-20 -113.87 132.73 55.8 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.219 -0.659 . . . . 65.24 109.219 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.672 HG22 ' SG ' ' A' ' 24' ' ' CYS . 20.6 t -134.18 104.48 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 123.581 0.753 . . . . 75.42 109.356 -173.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 68.93 -68.77 0.17 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.566 0.746 . . . . 72.33 109.394 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.67 12.59 0.22 Allowed Glycine 0 CA--C 1.519 0.288 0 CA-C-N 115.234 -0.893 . . . . 71.03 112.254 176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -109.85 144.24 38.59 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.333 -0.617 . . . . 62.34 109.333 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.2 m -113.9 133.59 55.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.973 0.416 . . . . 64.32 111.174 -176.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -136.85 175.7 9.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.637 -0.71 . . . . 74.31 109.909 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 p -113.81 140.58 48.2 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.257 -0.429 . . . . 65.01 110.251 177.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 20' ' ' CYS . 31.5 m -139.11 167.17 20.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.097 -0.501 . . . . 61.44 109.949 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.411 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 15.2 m -64.51 -45.78 85.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.767 0.317 . . . . 73.31 110.412 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.2 t -165.7 -173.78 2.85 Favored 'General case' 0 C--O 1.246 0.879 0 CA-C-O 121.649 0.737 . . . . 73.22 111.344 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.674 ' HA ' HG21 ' A' ' 34' ' ' VAL . 24.4 t -52.57 -49.37 65.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.593 -1.185 . . . . 73.43 111.176 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -57.33 -40.05 77.16 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.84 0.352 . . . . 73.42 110.756 -176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 15' ' ' SER . 5.9 mp0 -64.67 -48.64 74.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.142 -0.481 . . . . 75.2 110.418 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.541 ' HB2' HG21 ' A' ' 14' ' ' VAL . 43.9 t -55.62 -52.03 65.18 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.015 0.436 . . . . 73.33 110.437 178.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -52.38 -52.05 55.69 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.707 -0.678 . . . . 75.25 110.71 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.26 -44.79 88.53 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.967 -0.56 . . . . 74.14 110.179 -177.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.37 -57.29 13.41 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.36 -0.382 . . . . 74.03 110.766 -177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.672 ' SG ' HG22 ' A' ' 7' ' ' VAL . 68.8 m -59.42 -43.17 93.11 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.142 -177.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 25' ' ' ARG . 51.1 mtt180 -71.64 -26.93 62.75 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.244 -0.435 . . . . 71.2 110.992 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -70.53 -39.62 73.95 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.514 -0.551 . . . . 73.21 109.514 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.4 -25.23 61.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.542 -0.754 . . . . 74.34 109.987 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.16 13.82 61.41 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.75 -0.659 . . . . 63.21 111.885 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.12 118.82 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.948 -0.39 . . . . 61.2 109.948 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -78.38 -35.56 47.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.143 -0.48 . . . . 45.02 110.191 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -69.03 98.96 1.02 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.32 -0.622 . . . . 51.41 109.32 175.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 38.2 t -160.55 139.82 10.69 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.997 -0.372 . . . . 73.21 109.997 -175.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -143.76 137.27 27.96 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 122.199 0.199 . . . . 75.42 110.654 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.674 HG21 ' HA ' ' A' ' 17' ' ' SER . 4.4 p -113.58 118.62 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.21 0.528 . . . . 73.13 110.321 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 53.4 t-80 -113.92 143.23 45.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.076 -0.511 . . . . 71.3 109.786 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 t -140.15 107.09 5.41 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.515 -0.55 . . . . 75.44 109.515 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.945 -0.92 . . . . 61.4 112.183 -177.059 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.007 -0.368 . . . . 63.45 110.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -79.39 146.67 19.69 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.312 2.008 . . . . 74.45 111.975 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.8 m -131.76 168.43 17.8 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.52 -0.764 . . . . 43.24 109.903 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 35' ' ' HIS . 4.9 mp0 -112.77 129.21 56.51 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.382 -0.599 . . . . 75.24 109.382 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.2 t -117.52 130.53 56.49 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.584 -0.735 . . . . 61.11 109.096 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.672 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 1.7 m-20 -112.96 111.25 21.86 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.543 -0.54 . . . . 71.25 109.543 -176.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.436 ' C ' ' H ' ' A' ' 9' ' ' GLY . 40.0 t -113.33 110.15 31.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 O-C-N 123.719 0.637 . . . . 73.43 109.824 -174.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 t30 69.83 -22.14 0.16 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.504 0.722 . . . . 74.01 112.365 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . 151.43 -17.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 111.282 -0.727 . . . . 44.15 111.282 -176.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -88.58 148.27 24.17 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.943 -0.392 . . . . 74.45 109.943 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.5 m -113.65 119.1 36.29 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.095 0.474 . . . . 74.0 110.792 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -114.55 168.48 9.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.616 -0.72 . . . . 71.03 110.091 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 p -113.93 132.03 56.09 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.542 -0.54 . . . . 75.34 109.542 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -129.41 166.39 27.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.991 -0.55 . . . . 53.13 110.384 -175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.673 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 15.3 t -79.1 -28.07 42.99 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.375 -0.375 . . . . 70.0 111.231 -176.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.438 ' H ' ' HB2' ' A' ' 19' ' ' GLU . 49.4 m -163.89 171.67 15.05 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 120.695 0.284 . . . . 73.22 110.831 -175.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 53.5 p -61.25 -47.88 83.99 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.791 0.329 . . . . 55.42 110.326 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 1.7 pm0 -55.46 -32.85 63.12 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.931 -0.577 . . . . 71.12 110.789 174.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.673 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 11.7 mm-40 -71.3 -35.3 71.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.52 -0.309 . . . . 73.2 110.386 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' A' ' 34' ' ' VAL . 17.8 t -59.81 -58.55 8.08 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.41 -0.359 . . . . 71.32 110.666 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 15.2 pt-20 -59.55 -40.3 86.79 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.319 0.581 . . . . 74.2 110.172 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 68.9 ttt180 -54.37 -48.01 72.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.962 -1.017 . . . . 73.44 110.457 176.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -59.55 -45.18 92.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.734 -0.666 . . . . 73.43 109.439 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.5 m -59.66 -36.48 76.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.783 -0.644 . . . . 63.32 110.975 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HA ' HH11 ' A' ' 25' ' ' ARG . 11.2 mmm180 -72.66 -30.95 64.71 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.582 -0.281 . . . . 74.31 110.503 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -69.27 -43.82 73.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 72.4 110.184 177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.8 mt -75.38 -34.22 61.08 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.316 -0.402 . . . . 74.13 110.936 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.21 42.57 4.9 Favored Glycine 0 CA--C 1.517 0.218 0 CA-C-N 116.104 -0.498 . . . . 52.21 112.137 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.5 t -124.06 143.02 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 110.029 -0.36 . . . . 64.22 110.029 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.6 m -96.22 -31.73 12.8 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.967 0.413 . . . . 65.54 111.247 -178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -77.62 104.56 8.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.282 -0.417 . . . . 63.11 110.881 -177.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.672 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 64.4 m -147.49 159.24 43.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 61.22 110.273 -179.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HB3' ' HB2' ' A' ' 6' ' ' ASP . 5.9 tpp180 -144.76 148.54 34.22 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.31 -0.626 . . . . 64.23 109.31 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.443 HG12 ' SG ' ' A' ' 20' ' ' CYS . 23.7 m -113.49 148.14 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 73.34 111.154 -178.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 33.2 m-70 -139.94 127.54 21.65 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.864 -0.791 . . . . 74.32 108.864 176.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 70.7 m -135.62 99.42 4.19 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.698 -0.482 . . . . 44.32 109.698 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.722 -1.043 . . . . 34.42 111.342 -175.033 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.185 -0.302 . . . . 65.52 110.185 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -80.27 49.1 3.09 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.794 2.33 . . . . 71.32 112.3 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.7 m -62.82 150.95 40.29 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.168 -0.469 . . . . 72.44 109.832 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -113.81 136.51 52.78 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.516 0.674 . . . . 73.02 112.394 -168.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 48.7 t -114.01 139.16 49.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.865 -1.061 . . . . 53.5 108.85 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 11.9 t70 -114.9 143.21 45.49 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.586 -0.524 . . . . 74.12 109.586 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.1 t -135.74 99.75 2.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.362 -0.607 . . . . 72.15 109.362 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 62.99 3.76 1.33 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 122.889 0.476 . . . . 73.04 111.578 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.11 -28.47 3.49 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 121.167 -0.539 . . . . 33.22 112.46 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -75.05 143.96 43.24 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.807 -0.442 . . . . 72.42 109.807 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.2 m -113.53 133.26 55.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.072 0.463 . . . . 73.22 110.991 -175.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -129.68 173.82 10.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.402 -0.817 . . . . 75.44 109.004 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -113.34 135.05 54.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.043 0.449 . . . . 73.2 110.569 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' A' ' 19' ' ' GLU . 22.7 m -140.97 153.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.562 -0.745 . . . . 71.14 109.552 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.0 t -63.74 -30.46 71.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.755 -0.202 . . . . 73.45 110.879 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.8 t -169.38 176.64 5.03 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.361 0.601 . . . . 74.04 111.15 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -62.08 -33.58 74.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.433 -0.803 . . . . 64.44 111.243 -177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.41 -45.24 88.8 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.468 -0.567 . . . . 52.2 109.468 176.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.546 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . 12.8 tp10 -65.23 -40.0 93.49 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.115 -0.948 . . . . 63.44 109.563 179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.607 ' SG ' HG12 ' A' ' 34' ' ' VAL . 41.3 t -58.17 -54.07 51.13 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.948 -0.569 . . . . 73.12 110.945 176.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.649 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 32.6 mt-10 -61.36 -33.9 74.4 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.486 -0.324 . . . . 74.12 111.034 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HD3' ' OE2' ' A' ' 19' ' ' GLU . 65.3 ttt180 -58.98 -46.41 88.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.73 -0.668 . . . . 60.42 109.638 175.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.3 tp -62.2 -46.14 90.22 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.703 -0.68 . . . . 74.14 110.629 177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.2 m -53.06 -56.03 19.31 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.121 0.486 . . . . 71.01 110.968 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.649 ' NH1' ' HB3' ' A' ' 21' ' ' GLU . 80.7 mtt85 -68.29 -32.27 72.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.539 -0.755 . . . . 73.1 111.049 -176.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -63.31 -45.26 92.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 72.43 110.389 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -75.46 -26.93 58.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 72.22 110.345 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.37 14.04 54.54 Favored Glycine 0 C--N 1.331 0.266 0 CA-C-N 115.733 -0.667 . . . . 64.53 112.078 -178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.2 p -95.05 132.89 37.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.746 0.308 . . . . 74.43 110.474 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 81.5 p -94.34 -39.23 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 74.43 110.287 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -72.81 87.12 1.27 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.916 -0.584 . . . . 72.43 110.776 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 6' ' ' ASP . 29.4 p -152.11 147.3 26.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.227 -0.897 . . . . 64.44 108.972 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.533 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 50.7 mtp180 -121.7 147.84 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 63.33 110.918 -173.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.607 HG12 ' SG ' ' A' ' 20' ' ' CYS . 35.7 m -113.83 134.69 55.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.381 . . . . 74.23 110.83 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -150.06 114.95 5.33 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.007 -0.542 . . . . 63.23 109.541 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.7 t -135.62 99.75 4.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.573 -0.74 . . . . 64.22 110.277 -172.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.623 -1.098 . . . . 75.12 111.397 -178.733 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.949 -0.389 . . . . 62.23 109.949 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -70.34 154.54 65.37 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.22 1.946 . . . . 72.21 111.607 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 16' ' ' SER . 61.2 m -112.02 162.55 15.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.45 0.643 . . . . 72.43 111.352 -178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -113.8 142.89 45.51 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.661 -1.237 . . . . 75.34 107.661 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.4 m -138.52 146.11 41.55 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.987 0.422 . . . . 74.11 111.242 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 17.1 t70 -113.45 139.02 49.27 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.121 -1.066 . . . . 74.43 108.121 174.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 9' ' ' GLY . 61.0 t -140.29 104.3 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.05 -0.722 . . . . 74.13 109.05 -178.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.4 t30 69.56 -27.62 0.16 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.574 0.546 . . . . 73.32 112.417 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.461 ' H ' ' C ' ' A' ' 7' ' ' VAL . . . 155.57 -15.2 0.46 Allowed Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.419 -0.672 . . . . 73.31 111.419 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -91.5 147.42 23.03 Favored 'General case' 0 CA--C 1.528 0.135 0 N-CA-C 109.525 -0.546 . . . . 72.23 109.525 176.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.7 m -113.74 137.25 51.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.014 0.435 . . . . 55.23 110.498 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -133.24 162.07 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 75.5 109.403 -178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.4 p -113.85 131.2 56.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.652 -0.499 . . . . 75.33 109.652 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.9 m -131.39 179.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 74.42 110.301 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.5 t -64.03 -76.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.041 -0.527 . . . . 65.43 110.454 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.419 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 6.8 m -141.89 -174.5 4.1 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.132 -0.486 . . . . 71.11 110.288 -176.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.7 m -51.32 -37.33 47.08 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.344 -0.389 . . . . 73.12 110.955 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -52.79 -62.69 1.49 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.577 -0.738 . . . . 74.52 109.942 177.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.26 -33.95 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.977 -1.011 . . . . 75.31 110.409 -178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.644 ' SG ' HG22 ' A' ' 34' ' ' VAL . 6.8 t -61.94 -60.4 3.68 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.653 -0.703 . . . . 51.01 110.784 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.0 -39.76 86.88 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.33 0.586 . . . . 64.22 110.388 -178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -55.64 -42.98 75.76 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.211 -0.904 . . . . 75.31 110.872 174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD22 HG21 ' A' ' 7' ' ' VAL . 7.3 tt -63.62 -44.03 95.13 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.537 -0.542 . . . . 62.13 109.537 178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 33.2 m -54.18 -53.21 56.48 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.358 0.599 . . . . 73.33 110.16 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -73.64 -17.57 61.14 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.31 -0.859 . . . . 74.55 111.098 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.0 tttp -73.74 -45.87 49.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.198 -0.455 . . . . 71.33 109.832 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.7 mt -78.7 -21.05 48.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.959 -0.564 . . . . 74.42 110.116 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.91 11.53 61.55 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.69 -0.686 . . . . 75.43 111.992 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 t -104.94 113.43 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 109.96 -0.385 . . . . 75.24 109.96 -177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.0 m -76.6 -23.56 53.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.222 0.534 . . . . 72.14 110.36 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -69.2 91.1 0.5 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.753 -0.658 . . . . 74.45 109.941 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.9 p -155.07 160.31 40.91 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.284 -0.417 . . . . 74.51 110.64 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 23.9 mmt180 -132.15 151.23 51.9 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 122.89 0.476 . . . . 72.01 110.318 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.644 HG22 ' SG ' ' A' ' 20' ' ' CYS . 45.4 t -113.74 130.44 67.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.95 -0.568 . . . . 64.13 110.008 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -136.68 100.05 4.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.172 -0.677 . . . . 70.11 109.172 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.4 m -113.24 135.23 54.06 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.194 -0.299 . . . . 74.0 110.194 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 CA-C-O 118.981 -0.899 . . . . 61.34 111.013 -177.362 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.721 0.296 . . . . 60.33 110.625 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -90.89 -174.79 0.72 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.975 2.45 . . . . 55.11 111.963 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.9 t -138.85 153.96 48.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.926 0.393 . . . . 53.45 110.176 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -113.71 136.05 53.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.013 -0.54 . . . . 74.42 110.027 -176.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.57 118.81 26.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.784 -1.191 . . . . 65.14 107.784 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 7.3 m-20 -112.88 108.99 18.15 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.253 0.549 . . . . 71.21 110.39 -170.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.6 t -115.07 123.06 70.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.348 -0.842 . . . . 71.04 110.191 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.1 t30 64.46 -0.29 0.95 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.062 0.545 . . . . 53.14 111.877 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.91 -24.37 7.93 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 111.634 -0.587 . . . . 64.32 111.634 -176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -83.53 156.65 22.7 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.982 -0.377 . . . . 72.41 109.982 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.5 m -113.59 124.4 52.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.256 0.551 . . . . 60.45 111.374 -174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -121.88 144.18 49.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.401 -1.333 . . . . 71.31 107.401 172.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -113.49 137.94 50.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.394 0.616 . . . . 30.24 111.806 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -133.12 179.79 4.1 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 114.886 -1.052 . . . . 62.42 109.288 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB3' ' OE1' ' A' ' 19' ' ' GLU . 12.2 t -92.69 -50.73 5.44 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 121.1 -0.24 . . . . 72.35 110.813 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.435 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 8.1 m -111.02 146.67 36.29 Favored 'General case' 0 C--O 1.24 0.589 0 CA-C-O 121.021 0.438 . . . . 73.12 112.003 -174.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.492 ' HB2' ' SG ' ' A' ' 36' ' ' CYS . 44.3 t -56.98 -35.82 69.61 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.79 -0.641 . . . . 74.34 109.427 174.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.33 -48.85 73.56 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.366 -0.834 . . . . 65.43 108.951 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.435 ' HG3' ' HB2' ' A' ' 16' ' ' SER . 50.2 mt-10 -66.19 -36.96 84.46 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.384 -0.825 . . . . 64.42 111.787 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.9 t -59.67 -63.48 1.28 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.796 0.332 . . . . 73.52 110.698 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 6.5 mm-40 -53.27 -45.42 68.86 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.106 -0.497 . . . . 54.25 110.443 178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -54.47 -48.57 71.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.369 -0.832 . . . . 64.22 110.688 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 63.6 tp -59.98 -55.44 34.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.275 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 83.3 m -59.9 -37.25 78.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.029 -0.532 . . . . 73.24 111.679 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 25.5 mmt-85 -77.9 -25.14 48.29 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.71 0.291 . . . . 60.52 110.356 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -78.42 -24.64 46.08 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 109.494 -0.558 . . . . 75.21 109.494 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 90.9 mt -79.91 -33.96 39.42 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.075 -0.713 . . . . 62.35 109.075 171.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.29 25.4 26.36 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.104 -0.953 . . . . 74.21 112.099 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.79 136.11 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.159 -0.311 . . . . 63.01 110.159 -178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.5 m -91.48 -33.82 15.05 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.375 -0.375 . . . . 73.1 111.838 -175.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.0 p30 -80.33 48.04 0.98 Allowed 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.299 0.571 . . . . 73.52 111.53 -175.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 11.6 t -113.8 143.69 44.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 52.42 109.779 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -131.87 146.53 52.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.715 -0.476 . . . . 75.42 109.715 -178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.74 138.62 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 62.52 111.027 -178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -144.97 99.82 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 75.3 109.764 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' SG ' ' HB2' ' A' ' 17' ' ' SER . 58.6 m -113.06 99.96 8.25 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.276 -0.639 . . . . 73.42 109.276 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.766 0 CA-C-O 118.55 -1.139 . . . . 60.2 111.339 -175.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.267 -0.271 . . . . 75.11 110.267 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -82.93 -178.81 4.05 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.58 2.187 . . . . 73.33 112.042 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.2 m -130.48 179.61 5.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.427 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -113.36 159.7 19.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.791 -0.64 . . . . 53.4 109.554 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.9 t -142.29 139.3 31.83 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.699 -0.682 . . . . 73.12 109.211 -176.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.445 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 9.8 t70 -113.65 135.8 53.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.357 -0.979 . . . . 72.33 108.357 -178.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.442 HG22 ' SG ' ' A' ' 24' ' ' CYS . 44.1 t -139.82 103.07 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.073 -0.714 . . . . 74.54 109.073 -174.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 61.5 11.83 4.05 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 121.245 0.545 . . . . 75.3 111.084 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.07 -29.09 5.66 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 121.182 -0.533 . . . . 60.24 112.503 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -81.47 143.96 31.71 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 110.008 -0.367 . . . . 64.11 110.008 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.7 m -114.17 117.68 31.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.924 0.392 . . . . 52.33 111.158 -175.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -113.75 168.13 10.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.511 . . . . 75.41 109.744 176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.0 p -113.48 131.84 55.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.044 0.449 . . . . 72.23 110.215 177.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 20' ' ' CYS . 26.7 m -125.19 163.55 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 74.32 111.193 -172.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.0 t -62.0 -30.17 70.77 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.924 -0.58 . . . . 74.32 111.771 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.42 ' H ' ' HB3' ' A' ' 19' ' ' GLU . 45.9 p -167.36 170.04 11.82 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 121.485 0.66 . . . . 54.13 111.811 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 m -55.8 -43.52 76.93 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.088 -0.96 . . . . 62.01 110.424 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 14.4 pt-20 -66.49 -38.03 86.37 Favored 'General case' 0 C--O 1.225 -0.186 0 N-CA-C 109.73 -0.47 . . . . 71.33 109.73 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' HB3' ' H ' ' A' ' 16' ' ' SER . 9.5 tp10 -64.37 -31.42 72.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.083 -0.508 . . . . 65.11 110.357 -177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.587 ' SG ' HG22 ' A' ' 34' ' ' VAL . 11.8 t -55.6 -67.1 0.31 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.903 0.382 . . . . 73.31 111.19 174.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -59.77 -39.27 84.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.045 0.45 . . . . 64.02 110.304 -179.031 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -55.71 -41.87 74.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.321 -0.854 . . . . 74.31 110.801 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.4 tp -66.09 -47.96 72.52 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.094 -0.503 . . . . 74.42 109.835 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 29' ' ' VAL . 96.5 m -57.14 -38.4 73.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.627 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -67.44 -33.77 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.058 0.456 . . . . 72.11 110.138 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -33.22 75.14 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.854 -0.612 . . . . 75.45 109.678 175.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.06 -27.64 35.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.741 -0.663 . . . . 73.14 110.804 178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.99 15.23 49.53 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 116.143 -0.48 . . . . 63.21 112.037 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 57.9 t -110.54 139.23 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.727 0.298 . . . . 75.5 110.297 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.7 p -108.45 -16.65 14.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.397 -0.365 . . . . 71.32 111.096 178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -77.94 79.93 4.4 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.405 0.621 . . . . 61.12 110.106 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 86.0 m -138.76 -179.92 6.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.948 -1.024 . . . . 72.31 110.211 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 55.2 ttt180 -152.72 151.9 31.06 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.319 -0.623 . . . . 73.5 109.319 175.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.587 HG22 ' SG ' ' A' ' 20' ' ' CYS . 49.0 t -113.19 140.58 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.992 -0.373 . . . . 73.24 109.992 -177.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -144.51 110.72 5.5 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.78 0.324 . . . . 62.22 111.007 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 70.6 m -115.03 103.36 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.929 -0.767 . . . . 75.21 108.929 172.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.669 -1.073 . . . . 74.31 112.133 -177.79 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.872 0 N-CA-C 110.296 -0.261 . . . . 62.44 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.91 156.12 43.37 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.489 2.126 . . . . 62.03 111.692 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.2 m -115.94 154.47 29.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.284 0.564 . . . . 62.13 110.72 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.86 165.46 12.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.725 -0.67 . . . . 73.04 110.124 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.6 t -141.05 135.52 31.12 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.243 -0.651 . . . . 74.03 109.243 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -113.7 135.45 53.93 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.117 -0.697 . . . . 72.11 109.117 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 8' ' ' ASN . 43.6 t -139.29 104.5 2.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.193 -0.669 . . . . 64.03 109.193 -173.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 7.6 t30 69.1 2.81 3.77 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.152 0.501 . . . . 51.42 110.989 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.15 -15.44 18.37 Favored Glycine 0 C--N 1.332 0.308 0 N-CA-C 111.679 -0.569 . . . . 42.4 111.679 -175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -80.07 137.65 36.82 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.991 -0.744 . . . . 75.44 108.991 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.5 m -113.75 116.75 29.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.292 0.567 . . . . 74.24 111.318 -176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -113.86 173.38 6.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.214 -0.903 . . . . 72.15 109.72 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 p -113.96 140.25 48.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.796 0.332 . . . . 74.42 110.557 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 20' ' ' CYS . 28.7 m -142.73 155.94 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.155 -0.475 . . . . 63.01 110.08 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -84.82 -13.22 51.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.747 -0.206 . . . . 71.23 111.145 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.5 p -156.57 156.68 34.0 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.496 0.665 . . . . 75.41 111.888 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.0 p -60.64 -30.6 69.98 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.457 -0.792 . . . . 65.25 109.543 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.89 -45.9 91.02 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.385 -0.825 . . . . 73.33 109.443 177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.1 -39.6 94.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.285 -0.871 . . . . 44.53 110.868 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.406 ' HB2' HG21 ' A' ' 14' ' ' VAL . 51.2 t -56.47 -56.42 21.4 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 120.925 0.393 . . . . 73.32 110.57 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -56.96 -45.47 82.82 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.067 -0.515 . . . . 61.04 110.339 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -53.16 -46.19 68.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.424 -0.807 . . . . 71.24 110.608 178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.8 tp -64.8 -58.54 5.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.399 -0.364 . . . . 71.32 110.412 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.0 t -53.8 -52.88 58.87 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.433 0.635 . . . . 60.33 111.34 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -69.53 -34.32 74.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.533 -0.758 . . . . 64.24 111.628 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -65.85 -48.45 71.55 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.764 -0.458 . . . . 75.44 109.764 176.549 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.97 -31.41 71.76 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.917 -0.583 . . . . 75.53 110.221 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.13 34.39 7.62 Favored Glycine 0 CA--C 1.508 -0.389 0 N-CA-C 110.816 -0.913 . . . . 75.21 110.816 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 30' ' ' THR . 44.4 t -106.72 154.18 7.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 114.949 -0.626 . . . . 71.14 110.021 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.412 ' O ' HG12 ' A' ' 29' ' ' VAL . 13.5 t -118.8 177.81 4.71 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.071 -0.714 . . . . 70.03 109.071 172.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.5 t30 64.47 47.59 2.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.676 0.751 . . . . 55.35 109.419 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.9 p -113.86 149.43 35.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.598 -0.728 . . . . 73.14 110.11 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -143.25 156.37 44.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.028 -0.533 . . . . 53.04 109.689 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.59 138.55 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.692 0.282 . . . . 62.33 110.523 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -137.53 119.33 15.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.301 -0.408 . . . . 65.43 110.366 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t -141.05 99.6 3.63 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.501 -0.926 . . . . 73.43 108.501 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.897 -0.946 . . . . 23.21 111.113 -171.075 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 110.356 -0.239 . . . . 71.23 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -87.03 -162.86 0.15 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.929 2.42 . . . . 72.42 111.979 178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 33.6 t -118.01 164.02 15.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.247 -0.433 . . . . 64.24 109.847 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 12.2 pt-20 -132.13 163.42 28.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 74.4 110.583 -177.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.4 t -150.31 130.95 13.98 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.02 -0.733 . . . . 75.04 109.02 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.67 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 11.3 t70 -113.03 101.2 9.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.081 -0.711 . . . . 64.31 109.081 -178.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.582 HG23 ' SG ' ' A' ' 32' ' ' CYS . 7.6 p -113.39 132.21 62.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 114.971 -1.013 . . . . 70.25 109.922 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 65.7 t30 66.22 4.39 3.13 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 115.974 -0.557 . . . . 64.01 111.156 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.45 -11.29 33.26 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.214 -0.517 . . . . 73.44 112.548 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' ASP . 54.3 mt-10 -101.93 148.58 25.16 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.988 -0.375 . . . . 73.51 109.988 178.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 30.8 m -113.01 117.26 31.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.367 0.603 . . . . 53.5 111.174 -174.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -113.81 177.59 4.58 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.097 -0.956 . . . . 73.35 109.181 177.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 41.3 p -113.77 134.13 54.95 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.944 -0.391 . . . . 65.44 109.944 177.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -126.74 158.54 37.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 70.33 110.884 -176.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.2 p -65.38 -43.86 89.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.833 -0.621 . . . . 74.11 111.004 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.3 m -152.42 169.14 23.3 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.422 0.63 . . . . 53.12 111.616 -176.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 t -58.83 -40.64 84.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.503 -0.771 . . . . 42.41 110.12 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -63.62 -31.14 72.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 115.776 -0.647 . . . . 73.31 110.546 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -70.41 -37.79 74.52 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.476 -0.564 . . . . 73.35 109.476 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.4 t -57.39 -60.48 3.58 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.873 -0.603 . . . . 53.34 110.833 175.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.3 -40.34 85.85 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.877 0.37 . . . . 73.34 110.95 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -54.12 -49.95 68.0 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.82 -0.627 . . . . 72.43 110.401 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.28 -43.54 96.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.931 -0.577 . . . . 75.22 110.395 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.1 m -56.8 -56.78 17.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 54.34 110.86 178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.85 -31.9 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.854 -0.612 . . . . 73.1 110.439 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -67.66 -48.22 67.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 75.32 110.51 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.0 mt -76.0 -14.31 60.23 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.084 -0.507 . . . . 73.24 110.844 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.99 29.17 35.12 Favored Glycine 0 C--N 1.33 0.234 0 CA-C-N 116.062 -0.517 . . . . 74.22 112.106 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.39 139.2 30.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.751 -0.462 . . . . 64.23 109.751 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 44.9 p -97.43 -28.39 14.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.751 0.31 . . . . 62.44 111.577 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -105.7 118.87 37.68 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.06 0.457 . . . . 72.5 111.276 -176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.67 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 61.5 m -142.06 164.83 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.13 -0.941 . . . . 74.13 109.131 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 10.5 ttm180 -131.67 127.48 37.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.733 -0.469 . . . . 72.12 109.733 175.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.83 133.61 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.957 0.408 . . . . 73.13 111.365 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 27.1 t-80 -149.48 124.41 9.96 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.761 -0.654 . . . . 75.3 109.534 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.1 m -113.62 136.27 53.01 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.806 -0.442 . . . . 53.3 109.806 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.959 0 CA-C-O 119.012 -0.882 . . . . 74.14 112.025 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.355 -0.239 . . . . 64.44 110.355 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -71.58 -157.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 122.273 1.982 . . . . 73.1 111.006 173.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.0 t -89.12 156.06 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.871 -0.418 . . . . 75.53 109.871 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.476 ' HG2' HG22 ' A' ' 13' ' ' THR . 42.4 mt-10 -113.57 158.15 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.178 -0.465 . . . . 64.54 109.816 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.455 ' SG ' HG22 ' A' ' 14' ' ' VAL . 87.3 m -147.31 165.92 28.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.389 -0.369 . . . . 74.42 110.852 -176.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.3 t70 -141.47 151.28 43.22 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.455 -0.572 . . . . 72.54 109.455 177.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.617 HG22 ' SG ' ' A' ' 24' ' ' CYS . 53.9 t -141.03 99.33 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.998 -0.742 . . . . 74.2 108.998 -177.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 56.35 10.09 0.61 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.039 0.535 . . . . 74.53 112.278 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.55 -32.86 2.34 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 120.809 -0.71 . . . . 72.34 112.906 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -83.8 142.25 30.79 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 110.17 -0.308 . . . . 75.53 110.17 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.9 m -113.48 133.34 55.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.963 0.411 . . . . 61.11 111.277 -173.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -128.63 178.92 5.98 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.662 -0.699 . . . . 71.15 110.048 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.476 HG22 ' HG2' ' A' ' 4' ' ' GLU . 19.5 p -133.48 135.71 44.65 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 110.215 -0.291 . . . . 63.34 110.215 174.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' A' ' 20' ' ' CYS . 27.0 m -132.6 170.61 19.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 71.41 111.134 -176.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.555 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 37.0 t -66.04 -48.41 71.18 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.105 -0.498 . . . . 74.21 110.695 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.6 p -153.54 172.74 16.7 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.378 -0.374 . . . . 70.15 110.778 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 p -56.55 -33.54 66.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 65.35 110.682 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -57.31 -58.01 10.13 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.744 -0.662 . . . . 53.12 110.04 176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.555 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 19.8 mm-40 -58.43 -33.08 69.3 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.274 -0.875 . . . . 64.13 110.827 177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.786 ' SG ' HG22 ' A' ' 34' ' ' VAL . 9.4 t -62.66 -55.71 24.38 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.658 -0.701 . . . . 72.51 110.225 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 81.6 mm-40 -54.84 -51.4 65.98 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.59 -0.732 . . . . 75.34 109.789 177.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -50.57 -45.15 57.02 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.32 -0.4 . . . . 75.25 110.954 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.3 tp -61.25 -61.56 2.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 64.2 110.736 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.617 ' SG ' HG22 ' A' ' 7' ' ' VAL . 72.6 m -60.72 -43.24 98.1 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 116.477 -0.329 . . . . 70.11 111.846 -174.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 20.0 mmt180 -66.72 -41.29 88.17 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 110.145 -0.317 . . . . 62.32 110.145 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.3 -41.14 97.0 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.471 -0.331 . . . . 63.34 110.413 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 93.8 mt -61.5 -35.09 76.72 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.416 -0.587 . . . . 60.04 109.416 174.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.39 23.64 9.43 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.557 -0.747 . . . . 43.13 112.001 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.74 116.89 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.848 -0.427 . . . . 64.12 109.848 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.0 m -75.28 -38.33 60.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.955 -0.566 . . . . 60.35 110.348 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -70.97 84.82 0.69 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.661 0.743 . . . . 73.21 109.605 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t -136.51 162.28 33.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.507 -1.224 . . . . 43.3 108.606 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 38.2 ttm180 -143.55 143.11 31.39 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.402 -0.222 . . . . 75.44 110.402 -175.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.786 HG22 ' SG ' ' A' ' 20' ' ' CYS . 44.7 t -116.61 140.49 38.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.413 -0.358 . . . . 75.22 110.486 -177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -140.9 99.69 3.66 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 109.697 -0.482 . . . . 64.22 109.697 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 77.9 m -113.11 100.53 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.283 -0.636 . . . . 71.12 109.283 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.68 -1.067 . . . . 64.32 111.026 -175.851 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 110.213 -0.292 . . . . 73.42 110.213 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -76.77 71.32 6.14 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.61 2.207 . . . . 74.53 111.294 177.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -67.04 172.43 4.55 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.06 -0.973 . . . . 42.01 110.743 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 35' ' ' HIS . 41.3 mt-10 -132.98 174.26 10.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.249 -0.887 . . . . 64.33 109.869 -177.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.0 t -149.05 133.39 17.48 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.517 -0.92 . . . . 70.25 108.517 -177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 7.1 m-20 -113.3 104.35 12.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.169 0.509 . . . . 71.54 111.014 -172.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.512 HG22 ' SG ' ' A' ' 24' ' ' CYS . 56.5 t -113.13 110.54 32.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.628 -0.715 . . . . 75.55 109.871 -175.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 52.8 t30 59.41 21.16 9.5 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 121.446 0.641 . . . . 75.11 110.877 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.62 -19.5 47.39 Favored Glycine 0 C--N 1.329 0.139 0 C-N-CA 121.172 -0.537 . . . . 60.3 112.316 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -75.93 143.61 41.54 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.425 -0.583 . . . . 61.34 109.425 177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.6 m -113.42 119.39 37.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.138 0.494 . . . . 50.41 110.774 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -113.7 168.27 9.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.589 -0.732 . . . . 74.42 109.108 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 1.5 p -113.55 134.99 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 70.44 110.606 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.526 HG21 ' HB2' ' A' ' 20' ' ' CYS . 26.7 m -138.16 168.03 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 72.32 110.476 -177.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.1 m -63.44 -46.44 86.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.911 -0.586 . . . . 55.14 110.946 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 p -169.15 -174.55 2.04 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.32 -0.4 . . . . 55.34 110.45 -177.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 m -50.47 -40.35 50.58 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.029 -0.532 . . . . 75.33 110.88 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -50.72 -55.37 16.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.319 -0.855 . . . . 65.02 110.776 178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -75.54 -27.99 58.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.471 -0.786 . . . . 73.23 111.264 -174.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.526 ' HB2' HG21 ' A' ' 14' ' ' VAL . 35.2 t -60.05 -59.6 5.17 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 109.431 -0.581 . . . . 52.42 109.431 174.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 45.5 mt-10 -57.92 -43.24 86.11 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.592 -0.731 . . . . 74.55 110.309 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 22' ' ' ARG . 45.3 ttp180 -59.2 -41.31 88.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.421 -0.354 . . . . 72.13 111.137 178.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 57.2 tp -64.34 -48.49 75.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.015 0.436 . . . . 63.34 110.114 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.512 ' SG ' HG22 ' A' ' 7' ' ' VAL . 55.7 m -63.97 -39.05 93.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.881 -0.6 . . . . 74.34 111.048 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 84.9 mtp180 -65.33 -38.83 91.35 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.797 -0.446 . . . . 75.24 109.797 176.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -59.87 -46.7 88.47 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.693 -0.685 . . . . 60.13 109.714 175.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 85.9 mt -68.92 -21.61 64.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.476 -0.784 . . . . 71.42 110.261 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.42 44.06 22.9 Favored Glycine 0 C--N 1.334 0.448 0 N-CA-C 111.096 -0.801 . . . . 73.41 111.096 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.492 HG11 HG13 ' A' ' 7' ' ' VAL . 13.3 p -129.82 131.71 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.405 -0.398 . . . . 44.24 110.628 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.6 p -86.9 -29.71 21.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.948 0.404 . . . . 71.24 110.029 176.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -69.15 78.08 0.35 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.687 0.756 . . . . 75.44 109.615 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 8.9 t -150.19 148.04 28.45 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.401 -1.272 . . . . 75.11 108.743 -174.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.534 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 30.9 mtp180 -138.76 162.53 34.5 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.411 -0.959 . . . . 64.14 108.411 -177.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.1 t -112.77 117.11 54.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.152 -0.684 . . . . 72.41 109.152 -176.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 4' ' ' GLU . 3.7 t-160 -113.9 99.22 7.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.865 -0.607 . . . . 74.23 110.407 -171.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 99.3 m -124.64 99.71 6.3 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.301 -1.0 . . . . 60.13 108.301 170.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.525 -1.153 . . . . 45.22 110.989 -173.491 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.586 -0.153 . . . . 63.23 110.586 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -81.9 -165.18 0.32 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.703 2.269 . . . . 74.03 110.72 172.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.68 ' SG ' ' HA ' ' A' ' 16' ' ' SER . 15.0 m -128.53 148.06 50.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.786 0.327 . . . . 72.53 110.706 -178.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -113.13 135.01 54.28 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.749 -0.834 . . . . 71.44 108.749 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 88.5 m -133.91 147.11 51.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.987 0.422 . . . . 61.43 111.425 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.465 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 18.2 t70 -113.85 151.41 32.17 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.935 -0.765 . . . . 62.21 108.935 173.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.415 HG13 HG11 ' A' ' 29' ' ' VAL . 50.2 t -143.13 99.73 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.904 -0.776 . . . . 72.02 108.904 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 31' ' ' ASN . 11.8 m120 57.82 19.62 5.85 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.179 0.437 . . . . 73.45 112.179 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.56 7.53 34.19 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.69 -0.767 . . . . 61.24 113.084 179.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -112.8 140.53 47.51 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.465 -0.568 . . . . 74.12 109.465 174.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.0 m -113.42 124.3 52.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.217 0.532 . . . . 72.32 111.694 -170.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -134.36 162.19 32.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.384 -0.825 . . . . 75.33 109.422 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.1 p -113.72 140.12 48.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.633 0.254 . . . . 72.43 110.352 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' A' ' 20' ' ' CYS . 27.0 m -125.96 160.1 33.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.219 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 t -69.53 -24.74 63.78 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.608 -0.269 . . . . 51.11 111.536 -176.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.68 ' HA ' ' SG ' ' A' ' 3' ' ' CYS . 22.3 t -166.81 169.69 13.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.729 0.299 . . . . 74.12 110.928 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.9 t -63.33 -37.45 87.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.068 -0.515 . . . . 63.43 110.268 -177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 16.6 tp10 -58.78 -50.49 73.75 Favored 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.369 -0.604 . . . . 72.21 109.369 175.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -56.81 -35.63 68.99 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.781 -0.645 . . . . 73.23 110.947 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.822 ' SG ' HG22 ' A' ' 34' ' ' VAL . 11.7 t -59.05 -49.27 78.52 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 109.717 -0.475 . . . . 64.04 109.717 176.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 57.8 mm-40 -56.48 -50.25 72.31 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-N 115.627 -0.715 . . . . 63.41 110.254 175.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 29.9 mmt85 -50.85 -56.57 11.57 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.206 -0.452 . . . . 63.12 110.729 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.7 tp -58.55 -50.66 72.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 73.32 111.289 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.9 t -58.5 -50.41 73.84 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.129 -0.487 . . . . 61.34 110.941 -177.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 24.7 mmt180 -71.0 -28.6 64.54 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.429 -0.351 . . . . 64.34 110.505 -177.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.578 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 8.9 tmtt? -68.26 -45.81 72.13 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.312 -0.625 . . . . 52.14 109.312 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.55 -30.61 68.45 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.921 -0.581 . . . . 75.33 109.84 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.06 31.48 7.63 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.798 -0.637 . . . . 73.21 111.954 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG11 HG13 ' A' ' 7' ' ' VAL . 57.8 t -98.76 143.86 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.092 -0.336 . . . . 75.14 110.092 -179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 36.2 m -101.12 -32.88 10.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.09 0.472 . . . . 74.53 110.528 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.471 ' HB3' ' ND2' ' A' ' 8' ' ' ASN . 23.5 t-20 -93.21 83.6 4.66 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.234 0.54 . . . . 43.33 110.962 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 67.5 m -126.61 135.67 51.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.375 -0.829 . . . . 73.14 108.787 174.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -113.95 132.4 55.97 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.872 -0.418 . . . . 72.2 109.872 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.822 HG22 ' SG ' ' A' ' 20' ' ' CYS . 40.4 t -113.79 133.69 58.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.989 0.423 . . . . 71.02 111.581 -175.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -136.35 119.16 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.511 -0.768 . . . . 65.4 109.024 171.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.9 t -144.41 116.1 8.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.295 -0.261 . . . . 63.44 110.295 -178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.549 -1.14 . . . . 74.24 111.534 -179.319 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 N-CA-C 109.975 -0.38 . . . . 51.25 109.975 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.98 154.93 38.32 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.256 1.971 . . . . 74.34 111.746 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.1 m -128.52 -179.76 5.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.337 -0.616 . . . . 73.14 109.337 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -113.57 172.55 6.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.199 0.524 . . . . 72.1 110.693 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.1 t -144.15 140.61 29.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.333 -0.849 . . . . 71.32 109.278 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 9.9 t70 -113.79 133.25 55.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.919 -0.771 . . . . 71.22 108.919 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 48.8 t -137.93 102.47 2.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.195 -0.668 . . . . 44.32 109.195 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.9 m120 61.68 15.97 7.38 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.048 0.539 . . . . 72.44 111.153 -178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.22 -4.82 31.64 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.013 -0.613 . . . . 65.55 112.931 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 6' ' ' ASP . 12.6 tp10 -93.06 148.31 22.11 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.957 -0.386 . . . . 74.32 109.957 178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.0 m -113.86 117.15 30.61 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.243 0.544 . . . . 73.2 111.67 -177.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -114.06 175.53 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.992 -0.744 . . . . 72.43 108.992 172.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 p -113.92 136.84 52.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.745 0.307 . . . . 65.02 110.682 178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.523 HG21 ' HB2' ' A' ' 20' ' ' CYS . 23.5 m -137.59 168.6 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 62.21 111.015 -176.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.485 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 4.6 m -62.23 -39.01 91.38 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.924 -0.58 . . . . 70.34 110.935 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.2 t -172.68 177.75 2.84 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.77 -0.65 . . . . 74.5 109.473 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.6 m -55.41 -39.63 70.46 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.024 0.44 . . . . 75.12 110.735 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 2.1 mp0 -55.72 -48.41 75.22 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.663 -0.698 . . . . 65.45 109.647 176.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' CD ' HH21 ' A' ' 22' ' ' ARG . 7.2 tp10 -62.34 -36.85 83.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.19 -0.914 . . . . 74.01 110.134 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.523 ' HB2' HG21 ' A' ' 14' ' ' VAL . 37.7 t -60.98 -45.86 93.09 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.975 -0.557 . . . . 64.45 110.617 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -66.15 -42.89 88.42 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.575 -0.528 . . . . 74.11 109.575 -177.383 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.514 HH21 ' CD ' ' A' ' 19' ' ' GLU . 20.8 mtm180 -60.89 -44.83 96.56 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 116.261 -0.427 . . . . 54.12 111.05 177.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.06 -43.91 97.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.024 0.44 . . . . 74.41 110.144 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.0 t -56.32 -47.67 78.28 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.772 -0.649 . . . . 73.44 110.079 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 2.8 mmp_? -67.55 -29.45 68.83 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.635 -0.711 . . . . 75.33 111.162 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 55.5 mmtt -67.97 -46.88 70.15 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.839 0.352 . . . . 55.41 110.535 176.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.92 -29.76 70.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.955 -0.566 . . . . 71.34 109.654 176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.69 19.17 30.24 Favored Glycine 0 C--N 1.334 0.447 0 CA-C-N 115.578 -0.737 . . . . 73.11 111.623 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.2 t -95.73 154.77 3.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 122.701 0.4 . . . . 64.42 110.574 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.3 p -111.9 -33.61 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.191 0.519 . . . . 53.35 109.878 173.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -74.2 89.65 2.03 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.636 -0.711 . . . . 72.33 110.004 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 83.0 m -144.78 157.6 44.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.228 -0.442 . . . . 75.33 109.889 -177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 17.7 ttp180 -149.16 156.3 41.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.25 -0.648 . . . . 71.21 109.25 -175.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.8 m -113.69 149.57 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.984 0.421 . . . . 63.44 111.726 -173.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -151.79 153.2 33.8 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.238 -0.653 . . . . 73.45 109.238 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.8 t -158.77 175.25 13.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.686 -0.487 . . . . 65.34 109.686 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.658 -1.079 . . . . 44.12 112.067 -178.456 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.515 0.198 . . . . 72.13 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -91.19 -107.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.981 2.454 . . . . 74.2 111.107 174.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 t -162.16 158.01 24.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.346 -0.613 . . . . 74.22 109.346 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -125.84 146.63 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 122.141 0.176 . . . . 71.02 110.764 -174.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 33' ' ' ARG . 85.8 m -140.43 144.22 36.01 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 120.788 0.328 . . . . 62.21 111.706 -176.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.542 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 16.8 t70 -113.46 109.2 18.29 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.586 -0.734 . . . . 71.33 109.106 175.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.68 HG12 ' HB3' ' A' ' 32' ' ' CYS . 4.2 m -113.33 101.51 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 123.192 0.597 . . . . 71.32 110.252 -178.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.448 ' HB2' HG13 ' A' ' 29' ' ' VAL . 66.0 t30 64.14 19.67 11.86 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.549 -0.751 . . . . 71.33 110.891 176.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.12 -14.73 36.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.218 -0.515 . . . . 53.11 112.366 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.624 ' HB2' HG23 ' A' ' 7' ' ' VAL . 46.5 mm-40 -82.95 140.2 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.4 -0.592 . . . . 71.35 109.4 175.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.9 m -113.77 109.56 18.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.909 0.385 . . . . 65.51 110.32 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -120.06 167.47 12.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 73.52 109.823 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -113.75 132.98 55.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.831 0.348 . . . . 73.35 110.601 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.495 HG21 ' HB2' ' A' ' 20' ' ' CYS . 30.7 m -121.4 171.33 10.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.011 -0.541 . . . . 74.41 110.951 -176.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.1 m -86.95 -23.13 25.21 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.146 -0.479 . . . . 72.31 111.799 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -166.73 171.83 11.12 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.581 0.229 . . . . 71.15 110.441 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.479 ' HA ' HG21 ' A' ' 34' ' ' VAL . 21.8 p -59.05 -43.97 91.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 74.54 109.68 174.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -56.62 -47.42 79.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.414 -0.812 . . . . 73.32 110.35 175.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -62.27 -32.67 73.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.769 -0.65 . . . . 64.41 110.261 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 10.7 t -67.39 -46.97 71.68 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.202 -0.453 . . . . 64.31 109.966 178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' O ' ' HD2' ' A' ' 25' ' ' ARG . 18.9 mm-40 -58.04 -42.74 86.01 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.792 -0.64 . . . . 71.51 109.94 175.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -61.11 -47.76 84.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.234 -0.893 . . . . 72.11 109.9 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.07 -39.72 94.69 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.607 -0.724 . . . . 74.21 110.701 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.654 ' SG ' ' NH2' ' A' ' 25' ' ' ARG . 35.1 t -61.44 -47.77 84.21 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.073 -0.512 . . . . 63.12 110.166 -178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.654 ' NH2' ' SG ' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.88 -39.54 90.76 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.69 0.281 . . . . 75.51 110.599 175.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -56.5 -47.96 78.17 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.049 -0.523 . . . . 72.23 110.902 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.518 ' HB2' HG23 ' A' ' 29' ' ' VAL . 82.8 mt -83.81 -22.12 31.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.471 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.12 50.24 13.4 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.055 -0.818 . . . . 75.25 111.055 -177.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 27' ' ' LEU . 61.4 t -88.19 145.21 7.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 75.03 110.644 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.4 p -75.5 -63.17 1.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.84 -0.618 . . . . 52.43 110.441 176.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -103.62 105.96 16.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.413 -0.812 . . . . 73.35 110.945 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.68 ' HB3' HG12 ' A' ' 7' ' ' VAL . 2.2 p -124.88 120.33 31.36 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.741 -0.466 . . . . 65.52 109.741 174.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.421 ' NH1' ' O ' ' A' ' 34' ' ' VAL . 19.5 tpt85 -113.82 130.81 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.37 -0.604 . . . . 62.11 109.37 -179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.561 ' HB ' ' SG ' ' A' ' 20' ' ' CYS . 7.3 p -113.67 140.38 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 110.254 -0.276 . . . . 53.1 110.254 -177.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -152.96 124.36 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.397 -0.594 . . . . 72.15 109.397 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.2 m -114.03 122.56 47.27 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.735 -0.468 . . . . 64.12 109.735 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.488 -1.173 . . . . 70.15 111.841 -179.356 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 110.385 -0.228 . . . . 72.41 110.385 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.11 -159.13 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.648 2.232 . . . . 74.45 111.657 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.488 ' HB2' HG23 ' A' ' 14' ' ' VAL . 73.5 m -129.19 136.29 49.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.959 0.409 . . . . 74.44 110.258 178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -113.71 123.4 49.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.766 -0.827 . . . . 74.35 108.766 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.8 m -119.67 144.21 47.31 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.446 0.906 . . . . 63.44 113.446 -166.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 8.1 t70 -113.63 101.31 9.21 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 114.698 -1.137 . . . . 63.4 108.336 172.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.0 t -113.71 110.72 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 122.983 0.513 . . . . 74.22 110.38 -175.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 t30 63.17 22.2 13.25 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.441 0.638 . . . . 71.55 110.324 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.94 -17.11 59.27 Favored Glycine 0 C--N 1.33 0.23 0 CA-C-N 115.949 -0.568 . . . . 75.04 111.956 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -78.26 146.22 34.99 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.797 -0.445 . . . . 71.1 109.797 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.0 m -113.73 113.55 25.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.861 0.363 . . . . 65.24 110.359 -178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -132.17 161.37 33.54 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.048 -0.524 . . . . 74.43 110.34 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.7 p -113.66 133.06 55.53 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.302 -0.408 . . . . 51.44 110.063 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 20' ' ' CYS . 32.4 m -126.08 165.43 24.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.945 -0.571 . . . . 54.12 110.745 -174.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m -75.81 -38.19 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 75.23 111.668 -175.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.4 m -146.72 158.45 43.91 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 120.886 0.374 . . . . 72.24 110.958 -175.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.554 ' HB3' ' SG ' ' A' ' 36' ' ' CYS . 11.2 p -56.84 -49.8 74.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.939 -0.573 . . . . 51.31 110.739 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -57.6 -41.96 82.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.786 -0.643 . . . . 72.45 110.788 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.59 -36.88 81.95 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.118 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.536 ' HB2' HG21 ' A' ' 14' ' ' VAL . 28.3 t -56.93 -47.38 80.74 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.269 0.557 . . . . 71.25 109.925 175.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.55 -39.8 95.34 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.468 -0.787 . . . . 75.51 110.345 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -62.6 -46.25 89.15 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 116.079 -0.51 . . . . 75.55 110.743 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.9 tp -63.06 -42.01 99.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.039 0.447 . . . . 71.51 109.914 178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.3 t -60.16 -47.54 85.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.762 -0.653 . . . . 64.21 110.261 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -26.76 62.37 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.27 0.557 . . . . 64.5 110.191 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -66.86 -45.05 79.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.557 -0.747 . . . . 75.44 109.237 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.18 -24.5 57.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.728 -0.669 . . . . 75.41 110.337 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.67 42.99 6.63 Favored Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.797 -0.638 . . . . 75.1 111.971 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.2 t -112.22 151.39 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 122.487 0.315 . . . . 54.23 110.176 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 p -103.55 -33.56 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.215 0.531 . . . . 61.22 110.531 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -88.69 97.1 10.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 73.44 110.584 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 3.1 p -151.19 119.09 6.19 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.557 -0.747 . . . . 43.34 109.046 177.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -113.64 135.21 54.17 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.554 -0.535 . . . . 73.42 109.554 -175.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.0 136.31 52.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.039 0.447 . . . . 71.55 111.476 -174.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -115.98 110.46 18.98 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.941 -0.763 . . . . 73.31 108.941 173.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 17' ' ' SER . 75.2 m -113.81 109.38 18.44 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.0 -0.37 . . . . 73.45 110.0 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.955 -0.914 . . . . 55.15 111.626 -179.082 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.984 -0.376 . . . . 74.25 109.984 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -67.54 -174.03 0.52 Allowed 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.821 2.347 . . . . 64.3 112.684 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.451 ' HB2' HG23 ' A' ' 14' ' ' VAL . 97.5 m -103.9 146.54 28.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.05 -0.523 . . . . 74.54 110.777 -178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.501 ' HB2' ' HB2' ' A' ' 35' ' ' HIS . 36.9 mt-10 -115.29 125.35 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.63 -0.507 . . . . 72.12 109.63 179.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 11' ' ' THR . 80.0 m -113.62 138.45 50.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.803 0.335 . . . . 70.53 111.176 -174.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.51 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 21.6 t70 -113.61 108.48 17.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.721 -0.672 . . . . 70.24 109.769 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 4.5 m -113.01 106.64 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 123.737 0.815 . . . . 63.53 110.629 -178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 67.49 0.81 2.3 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.882 -0.599 . . . . 64.03 111.747 175.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.88 -14.06 7.57 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 121.128 -0.558 . . . . 53.14 111.851 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -88.08 134.82 33.66 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.651 -0.5 . . . . 63.32 109.651 174.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 96.7 m -113.78 115.1 27.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.388 0.613 . . . . 53.2 110.706 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -113.85 172.3 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.436 -0.802 . . . . 71.12 109.448 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.1 p -116.35 132.6 56.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.379 . . . . 72.44 111.058 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG11 ' HA ' ' A' ' 20' ' ' CYS . 19.4 m -124.91 163.27 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.881 -0.599 . . . . 70.51 110.535 -178.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.8 t -84.01 -12.77 54.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.019 -0.537 . . . . 52.2 111.819 -174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.6 t -174.19 173.11 3.15 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.643 0.259 . . . . 75.52 110.889 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.8 t -62.44 -43.55 98.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.775 -0.648 . . . . 73.43 110.331 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 19' ' ' GLU . 14.9 pt-20 -60.49 -43.28 97.18 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.486 -0.561 . . . . 75.24 109.486 178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 12.3 tp10 -62.06 -35.14 77.74 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.329 -0.851 . . . . 72.43 109.729 178.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.48 ' HA ' HG11 ' A' ' 14' ' ' VAL . 17.7 t -63.99 -58.05 7.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.045 -0.98 . . . . 54.4 110.44 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.09 -36.8 75.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.517 -0.765 . . . . 74.3 110.496 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -59.72 -54.39 46.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.194 -0.457 . . . . 71.04 110.685 175.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.21 -46.46 90.37 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.323 -0.399 . . . . 73.24 110.997 -177.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 77.1 m -59.13 -44.34 92.04 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 116.098 -0.501 . . . . 74.34 110.713 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -75.94 -21.77 56.67 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.741 0.305 . . . . 73.31 110.9 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -68.2 -45.05 74.46 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 108.758 -0.83 . . . . 71.21 108.758 176.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.1 mt -70.15 -33.31 71.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.931 -0.577 . . . . 75.14 109.693 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.19 23.58 16.78 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.654 -0.703 . . . . 43.44 112.052 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -103.5 121.04 54.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.16 -0.311 . . . . 61.22 110.16 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.9 p -80.44 -28.4 37.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.959 0.409 . . . . 63.12 110.327 177.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 3.5 m-20 -72.92 74.15 1.15 Allowed 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.284 -0.635 . . . . 71.15 109.284 175.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -122.92 123.14 40.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.301 -0.863 . . . . 73.41 109.502 -176.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 6' ' ' ASP . 12.5 tpp180 -113.82 143.07 45.26 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.088 -0.708 . . . . 72.11 109.088 -177.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.44 HG22 ' SG ' ' A' ' 20' ' ' CYS . 59.4 t -113.56 121.77 66.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.203 0.525 . . . . 74.32 111.728 -173.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 4' ' ' GLU . 7.2 m-70 -113.9 144.03 43.72 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 107.656 -1.239 . . . . 74.31 107.656 171.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.3 m -146.44 106.55 4.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.001 0.429 . . . . 74.42 110.66 177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.818 -0.99 . . . . 72.15 111.749 -177.651 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.155 0 N-CA-C 110.371 -0.233 . . . . 70.02 110.371 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -90.82 169.68 3.62 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.826 2.35 . . . . 53.32 113.125 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.2 m -138.35 -174.64 3.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.547 -0.751 . . . . 73.23 109.481 177.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 12.9 pt-20 -113.84 166.12 11.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.826 0.346 . . . . 73.43 110.158 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.6 t -143.87 130.79 20.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.82 -0.807 . . . . 74.2 108.82 -178.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.646 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 32.2 t70 -113.28 106.27 14.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.073 0.463 . . . . 74.0 110.426 -175.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.62 ' HB ' HG21 ' A' ' 29' ' ' VAL . 3.2 m -113.75 108.6 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 115.059 -0.973 . . . . 74.54 110.833 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 63.17 24.84 14.58 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.283 0.563 . . . . 73.41 111.199 175.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.88 -12.5 65.77 Favored Glycine 0 C--O 1.236 0.235 0 C-N-CA 121.014 -0.612 . . . . 41.35 111.846 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -84.87 127.95 34.39 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.917 -0.772 . . . . 61.22 108.917 173.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.4 m -113.21 111.31 21.85 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.158 0.504 . . . . 64.31 110.29 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -113.75 173.62 6.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.319 -0.855 . . . . 73.51 109.378 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -113.64 133.61 55.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.127 0.489 . . . . 73.43 110.951 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' A' ' 20' ' ' CYS . 30.8 m -130.44 166.94 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.517 -0.765 . . . . 75.42 110.431 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.496 ' H ' ' HG2' ' A' ' 19' ' ' GLU . 32.4 t -66.67 -40.57 88.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.638 0.256 . . . . 72.41 111.108 -178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.9 t -161.7 176.72 10.64 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.711 0.291 . . . . 73.51 110.487 -176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 p -56.45 -42.0 77.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 71.51 110.753 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 35.8 mt-10 -63.28 -37.86 88.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.908 -0.587 . . . . 71.14 110.407 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.496 ' HG2' ' H ' ' A' ' 15' ' ' SER . 6.1 tp10 -61.67 -40.51 95.22 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.805 -0.634 . . . . 74.24 109.417 175.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.466 ' HB2' HG21 ' A' ' 14' ' ' VAL . 29.4 t -61.65 -39.25 90.68 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.944 -0.571 . . . . 73.12 110.448 175.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 42.7 mt-10 -58.53 -48.98 79.05 Favored 'General case' 0 C--O 1.232 0.166 0 N-CA-C 110.006 -0.368 . . . . 61.44 110.006 176.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 96.2 mtt180 -57.19 -46.11 83.12 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.623 -0.717 . . . . 74.23 110.81 179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.94 -46.92 87.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.052 -0.522 . . . . 74.44 109.983 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.6 t -56.47 -46.28 80.48 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.645 -0.707 . . . . 71.04 110.931 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 36.4 mmt180 -68.25 -47.7 67.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.738 -0.664 . . . . 62.4 110.564 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -58.14 -35.45 71.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.568 -0.742 . . . . 72.4 110.899 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.468 ' HB2' HG23 ' A' ' 29' ' ' VAL . 80.1 mt -90.9 -23.51 20.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.887 -0.597 . . . . 70.43 110.891 179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.2 38.7 46.15 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 121.115 -0.564 . . . . 73.13 112.14 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.62 HG21 ' HB ' ' A' ' 7' ' ' VAL . 61.8 t -83.94 148.02 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.475 0.178 . . . . 73.12 110.897 -176.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 p -80.35 -54.92 5.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.097 0.475 . . . . 73.31 110.756 177.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -98.94 105.59 17.75 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.888 -0.597 . . . . 73.23 110.817 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.646 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 4.5 p -131.51 118.55 20.32 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.551 -0.537 . . . . 73.21 109.551 174.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 -123.45 168.58 12.37 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 116.653 -0.249 . . . . 72.51 110.359 -175.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.9 m -125.17 155.47 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.782 0.325 . . . . 73.22 111.289 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.511 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 38.7 t-80 -160.69 150.09 17.21 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.131 -0.692 . . . . 74.31 109.131 175.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.2 m -135.25 114.84 12.68 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 122.323 -0.235 . . . . 75.33 110.562 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.752 -1.027 . . . . 71.33 111.813 179.307 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.4 -0.222 . . . . 73.41 110.4 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -78.82 63.81 8.66 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 122.938 2.426 . . . . 74.53 111.091 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' HIS . 61.0 m -64.13 170.97 3.24 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.873 -1.058 . . . . 61.15 111.759 -175.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -113.38 148.53 35.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.284 0.564 . . . . 74.34 112.081 -171.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -127.99 145.65 50.91 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.001 -1.0 . . . . 73.32 108.983 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 33' ' ' ARG . 23.8 t70 -136.82 100.2 4.25 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.602 0.361 . . . . 74.54 110.485 -171.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.486 HG22 ' SG ' ' A' ' 24' ' ' CYS . 40.4 t -113.83 114.36 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.293 -0.412 . . . . 75.42 110.39 -175.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' OD1' ' HB2' ' A' ' 31' ' ' ASN . 92.3 m-20 60.56 21.62 11.41 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.136 -0.484 . . . . 62.25 111.315 -179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.18 -12.07 70.57 Favored Glycine 0 C--O 1.235 0.196 0 C-N-CA 121.041 -0.599 . . . . 40.24 112.042 -178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -81.92 155.64 25.18 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.285 -0.635 . . . . 74.43 109.285 176.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.9 m -113.28 125.62 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.34 0.59 . . . . 72.12 111.704 -170.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -124.29 152.28 43.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.181 -0.918 . . . . 75.5 108.686 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.7 139.07 49.38 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.723 0.297 . . . . 75.41 110.266 177.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' A' ' 20' ' ' CYS . 20.5 m -141.27 166.16 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.774 -0.648 . . . . 75.34 110.199 -176.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 t -90.49 -20.44 22.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.361 -0.381 . . . . 61.44 110.078 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.587 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 12.8 m -146.18 147.23 31.26 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 121.908 0.861 . . . . 72.4 112.108 -177.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.824 ' HA ' HG21 ' A' ' 34' ' ' VAL . 11.9 p -52.52 -53.27 48.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.64 -1.164 . . . . 75.12 110.175 175.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -55.46 -33.29 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.57 -0.741 . . . . 75.44 111.725 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.587 ' HG3' ' HB2' ' A' ' 16' ' ' SER . 83.5 mt-10 -62.38 -52.29 64.2 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.518 -0.549 . . . . 73.51 109.518 175.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.48 ' SG ' ' HB ' ' A' ' 34' ' ' VAL . 4.7 t -53.65 -52.37 60.16 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.689 -0.687 . . . . 62.52 110.704 175.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 17' ' ' SER . 43.1 mt-10 -60.53 -38.06 83.22 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.916 -0.584 . . . . 71.1 111.092 -177.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 15.4 tpp180 -64.97 -45.29 86.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 71.24 110.14 -179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 64.7 tp -58.77 -50.95 72.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.847 -0.615 . . . . 60.55 109.827 177.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.486 ' SG ' HG22 ' A' ' 7' ' ' VAL . 62.2 m -60.46 -44.04 96.26 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.807 -0.633 . . . . 71.42 111.442 -178.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -69.79 -31.17 68.94 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.703 -0.48 . . . . 74.11 109.703 -178.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -65.7 -52.07 54.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 63.15 109.924 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 81.4 mt -61.23 -32.18 71.97 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.807 -0.633 . . . . 61.24 110.078 177.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.46 36.49 8.71 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.542 -0.754 . . . . 63.11 111.822 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.04 123.92 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 122.246 0.219 . . . . 72.31 110.613 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 m -73.65 -38.31 65.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 65.04 110.977 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.486 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 78.2 m-20 -77.41 91.47 3.88 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.151 0.501 . . . . 71.43 110.388 -179.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 32.5 t -152.61 132.57 13.36 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.54 -0.755 . . . . 60.1 109.209 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.525 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 37.1 mtp180 -134.21 162.39 32.27 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.665 -0.865 . . . . 74.02 108.665 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.824 HG21 ' HA ' ' A' ' 17' ' ' SER . 7.5 p -153.95 130.71 2.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.815 0.34 . . . . 74.51 110.636 -179.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 61.5 t60 -114.0 124.1 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.103 -1.073 . . . . 71.32 108.103 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.2 t -140.74 99.96 3.74 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.81 -0.441 . . . . 74.43 109.81 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.81 -0.994 . . . . 73.44 110.954 -177.417 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.465 -0.198 . . . . 62.02 110.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.09 -172.15 0.21 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.793 2.329 . . . . 74.3 112.038 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m -129.75 162.8 27.6 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.318 0.58 . . . . 74.32 111.532 -175.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.497 ' HG2' HG22 ' A' ' 13' ' ' THR . 39.8 mt-10 -113.74 156.93 22.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.014 -0.994 . . . . 73.51 108.376 176.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.0 m -139.46 145.87 39.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.67 0.271 . . . . 53.24 110.788 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.526 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 21.1 m-20 -112.84 107.11 15.59 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 123.141 0.577 . . . . 65.53 109.734 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.491 ' HA ' ' O ' ' A' ' 31' ' ' ASN . 96.4 t -112.79 112.47 40.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 123.318 0.647 . . . . 63.41 109.588 -177.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 55.24 26.0 7.98 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.798 -0.637 . . . . 74.2 111.27 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.71 -15.98 56.6 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 121.23 -0.509 . . . . 74.42 113.138 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -91.13 149.22 21.89 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.623 -0.51 . . . . 70.12 109.623 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.1 m -113.45 118.67 35.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.175 0.512 . . . . 74.45 111.22 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -115.35 165.43 12.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.659 -0.701 . . . . 72.41 109.833 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.497 HG22 ' HG2' ' A' ' 4' ' ' GLU . 11.1 p -113.5 132.17 55.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.048 0.451 . . . . 74.21 109.994 175.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 20' ' ' CYS . 12.6 m -122.06 161.31 22.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.496 -0.775 . . . . 75.23 110.723 -175.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.2 t -64.87 -47.11 79.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 42.24 111.054 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.424 ' H ' ' HB3' ' A' ' 19' ' ' GLU . 16.6 m -153.66 174.26 14.72 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.858 0.361 . . . . 43.05 111.053 -176.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.5 p -56.37 -57.38 12.53 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.807 -0.633 . . . . 64.31 110.583 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -49.56 -44.71 46.91 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.531 -0.759 . . . . 70.22 110.598 176.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' HB3' ' H ' ' A' ' 16' ' ' SER . 9.9 tp10 -58.87 -42.28 89.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.623 -0.717 . . . . 73.51 110.524 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.531 ' HB2' HG21 ' A' ' 14' ' ' VAL . 34.6 t -57.9 -54.61 44.99 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.097 -0.501 . . . . 73.15 110.42 178.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -55.93 -43.11 77.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.468 -0.787 . . . . 74.42 110.604 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.521 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 46.9 mtp180 -64.55 -42.76 95.51 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 116.262 -0.426 . . . . 73.42 111.251 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.3 tp -59.63 -52.28 66.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.091 0.472 . . . . 73.22 110.054 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.0 m -66.98 -38.22 85.66 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.775 -0.648 . . . . 75.23 111.386 -177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -68.27 -34.21 75.78 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.053 0.454 . . . . 72.45 109.809 179.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -69.88 -45.22 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.714 -0.676 . . . . 51.04 109.998 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.54 -21.3 63.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.881 -0.599 . . . . 72.11 110.131 176.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.3 23.45 65.59 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.883 -0.599 . . . . 63.24 111.963 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.0 t -99.14 116.44 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.902 0.382 . . . . 71.43 110.304 -177.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 37.6 m -75.04 -31.38 61.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.758 -0.655 . . . . 73.41 110.555 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.491 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 79.4 m-20 -73.55 85.73 1.57 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.404 -0.591 . . . . 74.45 109.404 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 6' ' ' ASP . 23.8 t -149.38 111.83 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.895 -0.593 . . . . 75.52 109.929 -175.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 29.7 mmm180 -113.67 165.05 12.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.44 -0.578 . . . . 65.05 109.44 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' SG ' ' A' ' 20' ' ' CYS . 53.6 t -126.63 146.95 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.647 0.26 . . . . 60.23 110.817 -176.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -143.06 111.51 6.25 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 122.881 0.472 . . . . 72.5 109.927 176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.1 m -113.6 130.06 56.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.952 -0.388 . . . . 54.35 109.952 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.554 -1.137 . . . . 72.41 112.055 -177.595 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 120.435 0.159 . . . . 55.53 110.584 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.435 ' HB2' ' H ' ' A' ' 3' ' ' CYS . 2.5 Cg_endo -81.74 -114.57 0.01 OUTLIER 'Trans proline' 0 CA--C 1.535 0.545 0 C-N-CA 123.097 2.531 . . . . 61.22 110.978 176.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.435 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 3.6 t -177.48 106.16 0.05 Allowed 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.399 -0.963 . . . . 62.11 108.399 179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -113.26 171.51 7.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.136 0.494 . . . . 73.12 110.488 -175.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.428 ' SG ' HG21 ' A' ' 14' ' ' VAL . 67.9 m -145.45 171.38 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.886 -0.597 . . . . 54.2 110.62 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -134.31 145.67 49.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.577 -0.738 . . . . 65.03 109.514 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.773 HG13 HG11 ' A' ' 29' ' ' VAL . 78.1 t -141.85 99.96 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.605 -0.887 . . . . 63.24 108.605 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 65.15 -1.87 0.83 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.125 0.417 . . . . 72.4 112.125 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.48 -17.11 4.78 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 121.001 -0.618 . . . . 60.21 113.117 -176.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.66 ' HG2' ' O ' ' A' ' 7' ' ' VAL . 14.6 pt-20 -92.98 157.7 16.18 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 117.249 0.524 . . . . 72.13 110.074 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.3 m -113.54 144.45 42.84 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.871 0.367 . . . . 55.3 111.651 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -137.82 167.45 21.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.921 -0.582 . . . . 54.35 109.681 175.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 p -114.39 134.24 55.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.578 -0.283 . . . . 54.53 110.658 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 HG21 ' SG ' ' A' ' 5' ' ' CYS . 31.4 m -133.08 173.27 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 71.52 110.601 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.652 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 29.8 t -86.95 -37.42 17.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.294 -0.412 . . . . 64.33 110.223 176.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.4 p -157.51 174.68 15.01 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.271 -0.422 . . . . 75.53 111.16 -175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -64.3 -29.15 70.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.075 -0.713 . . . . 63.32 109.075 175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.02 -57.28 13.52 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.348 -0.842 . . . . 75.2 109.855 174.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.652 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 29.0 mm-40 -58.95 -37.49 76.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.23 -0.896 . . . . 63.12 110.369 178.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.12 -55.69 30.76 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.547 -0.752 . . . . 31.51 110.372 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 57.1 mm-40 -57.08 -51.09 70.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.796 -0.638 . . . . 71.21 110.21 176.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -50.54 -54.16 24.67 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.849 -0.614 . . . . 72.52 110.914 -177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 60.9 tp -58.99 -50.1 75.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.859 -0.61 . . . . 62.44 110.591 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.602 ' SG ' ' HB ' ' A' ' 29' ' ' VAL . 53.9 t -57.85 -49.54 76.32 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.833 -0.622 . . . . 51.42 111.438 -176.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 14.6 mmt180 -69.09 -35.27 76.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 74.54 110.431 -176.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -62.97 -44.5 95.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.837 0.351 . . . . 74.12 110.208 175.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 23' ' ' LEU . 79.9 mt -70.69 -25.17 62.85 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.064 -0.517 . . . . 73.15 110.379 177.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.36 34.57 19.79 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.694 -0.685 . . . . 63.33 112.034 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.773 HG11 HG13 ' A' ' 7' ' ' VAL . 62.1 t -82.53 139.18 18.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-O 120.595 0.236 . . . . 73.23 110.559 -179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 m -81.07 -54.89 5.15 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.335 -0.393 . . . . 63.33 111.131 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -113.02 98.68 7.31 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.325 0.583 . . . . 75.11 111.199 -176.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 27.3 p -135.89 137.8 41.78 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.459 -0.941 . . . . 70.24 108.459 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.875 ' HE ' ' HA ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -127.78 177.66 6.67 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.599 0.238 . . . . 62.45 111.0 -176.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.2 p -125.88 139.95 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.956 0.408 . . . . 74.22 111.064 -176.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -128.21 99.35 5.42 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.298 -1.001 . . . . 54.11 108.298 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 t -130.53 105.33 7.77 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.143 -0.317 . . . . 61.33 110.143 -172.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 119.043 -0.865 . . . . 73.13 111.819 -178.739 . . . . . . . . 0 0 . 1 stop_ save_